Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 9/20 | 0.68 |
| ▸ | CA9 | Q16790 | 9/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 2/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.65 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.65 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.65 |
| ▸ | SORD | Q00796 | 1/20 | 0.65 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27886651 | 0.89 | CA12 (0.53) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL5398907 | 0.85 | NQO1 (0.53) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL14424515 | 0.84 | CA12 (0.75) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28585333 | 0.84 | CA12 (0.74) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL22431782 | 0.81 | CA12 (1.00) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL22431749 | 0.81 | CA12 (0.70) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL20848057 | 0.81 | CA12 (1.00) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL20848068 | 0.81 | CA12 (0.70) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL30228248 | 0.81 | CA12 (0.70) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL30231613 | 0.81 | CA12 (1.00) | CA12CA9KDM4EALDH1A1HPGD |
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-4234726-A | ANOREXIGENIC AGENTS, MOOD MODIFIERS | BEECHAM GROUP LIMITED (GB) | 1980-11-18 | — | — | US | disclosed |
| US-4133883-A | Polycyclic chromenes useful as antidepressants and anorexics | BEECHAM GROUP LIMITED (GB) | 1979-01-09 | — | — | US | disclosed |