Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9777977 | 0.86 | ALDH1A1 (0.49) | FFAR1ALDH1A1CA12CA9MAPK1 | |
| SCHEMBL9778011 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL9773949 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CA12CA9MAPK1CASP3 | |
| SCHEMBL29236538 | 0.80 | RPS6KA2 (0.52) | ALDH1A1MAPK1KDM4EL3MBTL1 | |
| SCHEMBL29236539 | 0.80 | RPS6KA2 (0.52) | ALDH1A1MAPK1KDM4EL3MBTL1 | |
| SCHEMBL29236536 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP3A4HPGDL3MBTL1 | |
| SCHEMBL29236534 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP3A4HPGDL3MBTL1 | |
| SCHEMBL29236527 | 0.77 | CASP3 (0.53) | ALDH1A1MAPK1CASP3KDM4EPOLB | |
| SCHEMBL29236529 | 0.77 | CASP3 (0.53) | ALDH1A1MAPK1CASP3KDM4EPOLB | |
| SCHEMBL9777967 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPK1CASP3HPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4999345-A | Anticoagulants | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-12 | — | — | US | disclosed |
| EP-0345572-A2 | Sulfonamide derivatives, their preparation and pharmaceuticals containing them | BASF Aktiengesellschaft (DE) | 1989-12-13 | — | — | EP | disclosed |