Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23930862 | 0.80 | PIN1 (0.44) | CYP1A2MAPK1CASP1CYP2C19PIN1 | |
| SCHEMBL3032708 | 0.71 | GPR35 (0.37) | CYP1A2MAPK1CASP1CYP2C19PIN1 | |
| SCHEMBL6494249 | 0.64 | HCAR2 (0.43) | PIN1 | |
| SCHEMBL23930812 | 0.63 | NPSR1 (0.45) | — | |
| SCHEMBL24283838 | 0.63 | LMNA (0.37) | MAPK1 | |
| SCHEMBL2804373 | 0.60 | PIN1 (0.44) | CYP1A2MAPK1CASP1CYP2C19PIN1 | |
| SCHEMBL2778487 | 0.60 | TP53 (0.44) | PIN1 | |
| SCHEMBL11008167 | 0.60 | PIN1 (0.44) | CYP1A2MAPK1CASP1CYP2C19PIN1 | |
| SCHEMBL2522013 | 0.60 | PIN1 (0.48) | CYP1A2MAPK1CASP1CYP2C19PIN1 | |
| SCHEMBL2491316 | 0.59 | KDM4E (0.41) | CYP1A2CYP2C19PIN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994011398-A1 | CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-05-26 | — | — | WO | disclosed |