Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10897054 | 1.00 | KDM4E (0.41) | KDM4EALDH1A1HPGDESR1TBXAS1 | |
| SCHEMBL10895581 | 0.81 | ADH5 (0.44) | KDM4ETBXAS1CYP3A4 | |
| SCHEMBL10893883 | 0.79 | ENPP2 (0.41) | ESR1CYP3A4 | |
| SCHEMBL10896868 | 0.78 | CYP3A4 (0.39) | TBXAS1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10897227 | 0.77 | KDM4E (0.44) | KDM4EESR1TBXAS1CYP1A2USP2 | |
| SCHEMBL10897228 | 0.77 | KDM4E (0.44) | KDM4EESR1TBXAS1CYP1A2USP2 | |
| SCHEMBL10895829 | 0.76 | ALOX5 (0.37) | TBXAS1CYP3A4KMT2APTGS2 | |
| SCHEMBL10895664 | 0.76 | ADH5 (0.45) | ALDH1A1TBXAS1CYP3A4 | |
| SCHEMBL10895792 | 0.75 | CYP11B1 (0.48) | KDM4EALDH1A1HPGDTBXAS1CYP1A2 | |
| SCHEMBL10893218 | 0.74 | LMNA (0.46) | KDM4EALDH1A1HPGDTBXAS1CYP1A2 |
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-4602022-A | VASODILATORS, ANTIAGGREGANT AGENTS, ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS | FARMITALIA CARLO ERBA, S.P.A. (IT) | 1986-07-22 | — | — | US | disclosed |
| US-4510149-A | VASODILATORS, HYPOTENSIVE AGENTS, ANTIARTHRITIC AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1985-04-09 | — | — | US | disclosed |