Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986207 | 0.86 | KDM4E (0.50) | ALDH1A1HTTHTR1BHPGDSMN1; SMN2 | |
| SCHEMBL12134526 | 0.83 | AR (0.46) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL73693 | 0.83 | AR (0.46) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL25117781 | 0.78 | MEN1 (0.48) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL10475475 | 0.75 | SLC6A2 (0.43) | ALDH1A1HPGDSLC6A4MAPTKDM4E | |
| SCHEMBL2495602 | 0.75 | ALDH1A1 (0.52) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| Dimethylamine SCHEMBL4364526 | 0.75 | ALDH1A1 (0.44) | ARALDH1A1HTTHTR1BHPGD | |
| SCHEMBL11043820 | 0.75 | CDK4 (0.63) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL28402631 | 0.75 | CDK4 (0.63) | ARALDH1A1HTTHPGDSMN1; SMN2 | |
| SCHEMBL3200496 | 0.73 | ALDH1A1 (0.50) | ARALDH1A1HTTHPGDSMN1; SMN2 |
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 4 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-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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-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 | AR 1730/4885ALDH1A1 3793/4885HTT 4630/4885 |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | COASY, SCO2, CCNO | AR 1129/4885ALDH1A1 2604/4885HTT 4227/4885 |
“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.