Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 3/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1970447 | 0.85 | KMT2A (0.67) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL3722506 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL13666816 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL9346648 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP3A4KMT2ATDP1TSHR | |
| SCHEMBL1219754 | 0.81 | TDP1 (0.58) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL63183 | 0.81 | KMT2A (0.59) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL3148717 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL17259 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 | |
| SCHEMBL4067424 | 0.81 | TSHR (0.60) | CYP3A4VCAM1KMT2AMEN1TDP1 | |
| SCHEMBL1363964 | 0.81 | KMT2A (0.59) | ALDH1A1MAPK1HIF1ACYP3A4CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220378952-A1 | COMPOSITIONS COMPRISING HYPERPOLARIZED PROBES FOR H2O2 SENSING AND METHODS OF USING SAME | DUKE UNIVERSITY | 2022-12-01 | — | — | US | disclosed |
| US-11241507-B2 | Near-infrared chemiluminescent probes for in-vivo imaging | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2022-02-08 | — | — | US | disclosed |
| EP-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |
| EP-2598511-B1 | NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS | ECOLE NAT SUPERIEURE DE CHIMIE DE RENNES (FR) | 2018-07-04 | — | — | EP | disclosed |
| US-9409945-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-9409945-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-9334465-B2 | Structuring using an external structurant and a cosmotrope | THE PROCTER & GAMBLE COMPANY (US) | 2016-05-10 | — | — | US | disclosed |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MALLINCKRODT ENTERPRISES HOLDINGS LLC (F/K/A MALLINCKRODT ENTERPRISES HOLDINGS, INC.) | 2015-11-05 | — | — | US | disclosed |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MALLINCKRODT ENTERPRISES HOLDINGS LLC (F/K/A MALLINCKRODT ENTERPRISES HOLDINGS, INC.) | 2015-11-05 | — | — | US | disclosed |
| US-8835628-B2 | Stable and highly tunable metathesis catalysts | ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) | 2014-09-16 | — | — | US | disclosed |
| EP-2746377-A1 | Improved structuring using an external structurant and a cosmotrope | The Procter & Gamble Company (US) | 2014-06-25 | — | — | EP | disclosed |
| US-20140058106-A1 | SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2014-02-27 | — | — | US | disclosed |
| US-20130197218-A1 | NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS | CENTRE NATIONAL DE LA RECHERCE SCIENTIFIQUE CNRS (FR) | 2013-08-01 | — | — | US | disclosed |
| WO-2013039964-A1 | STABLE WATER-SOLUBLE UNIT DOSE ARTICLES | THE PROCTER & GAMBLE COMPANY (US) | 2013-03-21 | — | — | WO | disclosed |
| EP-2570474-A1 | Stable water-soluble unit dose articles | The Procter and Gamble Company (US) | 2013-03-20 | — | — | EP | disclosed |
| US-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-20100056497-A1 | AMIDE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2010-03-04 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140058106-A1 | SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS | PFAS, ODC1, AOC1 | ALDH1A1 969/4885MAPK1 4404/4885HIF1A 4868/4885 |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | F2, BCAT1, DAO | ALDH1A1 3793/4885MAPK1 4572/4885HIF1A 3823/4885 |
| US-20130197218-A1 | NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS | CYP4F11, CYP2F1, MPI | ALDH1A1 168/4885MAPK1 2691/4885HIF1A 2774/4885 |
| US-11241507-B2 | Near-infrared chemiluminescent probes for in-vivo imaging | DHPS, DOHH, DAZAP1 | ALDH1A1 486/4885MAPK1 4743/4885HIF1A 916/4885 |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | COASY, SCO2, CCNO | ALDH1A1 2604/4885MAPK1 2853/4885HIF1A 4208/4885 |
| US-20100056497-A1 | AMIDE DERIVATIVE | REN, AGTR1, AGTR2 | ALDH1A1 348/4885MAPK1 622/4885HIF1A 1794/4885 |
| US-20220378952-A1 | COMPOSITIONS COMPRISING HYPERPOLARIZED PROBES FOR H2O2 SENSING AND METHODS OF USING SAME | BRI3BP, GPX4, PRDX5 | ALDH1A1 4371/4885MAPK1 1812/4885HIF1A 772/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.