Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986217 | 0.81 | MAPK1 (0.50) | MAPK1KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL12750110 | 0.80 | LMNA (0.48) | MAPK1MAPTHTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL15851064 | 0.80 | ALDH1A1 (0.61) | KMT2AGAAMEN1ALDH1A1MAPT | |
| SCHEMBL10298330 | 0.79 | MAPK1 (0.62) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL9181831 | 0.79 | MAPK1 (0.62) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL18374197 | 0.79 | MAPK1 (0.62) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL13666983 | 0.79 | MAPK1 (0.62) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL16690170 | 0.79 | MAPK1 (0.53) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL8021462 | 0.78 | MAPK1 (0.47) | MAPK1KMT2AGAAMEN1ALDH1A1 | |
| SCHEMBL8018407 | 0.78 | TDP1 (0.53) | MAPK1KMT2AMEN1ALDH1A1MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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-9018419-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2015-04-28 | — | — | US | disclosed |
| US-9018419-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2015-04-28 | — | — | US | disclosed |
| US-20120046441-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MNK 2011 LLC (F/K/A MALLINCKRODT INC.) | 2012-02-23 | — | — | US | disclosed |
| US-20120046441-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MNK 2011 LLC (F/K/A MALLINCKRODT INC.) | 2012-02-23 | — | — | 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-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | 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 |
| US-7169899-B1 | 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 | TRANZYME PHARMA INC. (CA) | 2007-01-30 | — | — | US | disclosed |
| US-7169899-B1 | 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 | TRANZYME PHARMA INC. (CA) | 2007-01-30 | — | — | 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 (3 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-20120046441-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | COASY, SCO2, CCNO | MAPK1 2853/4885KMT2A 382/4885GAA 2925/4885 |
| 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 | MAPK1 4572/4885KMT2A 625/4885GAA 1129/4885 |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | COASY, SCO2, CCNO | MAPK1 2853/4885KMT2A 382/4885GAA 2925/4885 |
“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.