Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1568740 | 0.76 | CYP19A1 (0.47) | ALDH1A1 | |
| SCHEMBL7019205 | 0.74 | AOC3 (0.45) | CA2KDM4EALDH1A1 | |
| SCHEMBL31296518 | 0.73 | CYP2A6 (0.53) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL1795395 | 0.73 | CYP2A6 (0.53) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL15981540 | 0.71 | PIN1 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL22652343 | 0.69 | ENPP2 (0.43) | CA1CA2ENPP2 | |
| SCHEMBL12419265 | 0.68 | PIN1 (0.46) | CA1CA2KDM4EALDH1A1 | |
| SCHEMBL7997552 | 0.66 | LMNA (0.43) | ALDH1A1 | |
| SCHEMBL1554684 | 0.66 | DAO (0.44) | KDM4E | |
| SCHEMBL29955802 | 0.66 | ENPP2 (0.43) | CA1CA2ENPP2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |