Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.64 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NMT2 | O60551 | 3/20 | 0.41 |
| ▸ | NMT1 | P30419 | 3/20 | 0.41 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798424 | 0.96 | CYP2A6 (0.66) | CYP2A6KCNA3CYP3A4ALOX15KCNA5 | |
| SCHEMBL10925454 | 0.83 | KCNA3 (0.56) | CYP2A6KCNA3ALDH2KCNA5MAOA | |
| SCHEMBL10919442 | 0.82 | KCNA3 (0.55) | CYP2A6KCNA3ALDH2KCNA5MAOA | |
| SCHEMBL7959194 | 0.80 | KCNA3 (0.69) | CYP2A6KCNA3CYP3A4ALOX15KCNA5 | |
| SCHEMBL10924687 | 0.79 | KCNA3 (0.54) | CYP2A6KCNA3NMT2NMT1F2RL3 | |
| SCHEMBL11036109 | 0.79 | CYP2A6 (1.00) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| SCHEMBL11655749 | 0.78 | CYP2A6 (0.76) | CYP2A6KCNA3CYP3A4ALOX15KCNA5 | |
| SCHEMBL7945707 | 0.76 | CYP2A6 (0.54) | CYP2A6KCNA3CYP3A4ALOX15KCNA5 | |
| SCHEMBL8416505 | 0.74 | CA9 (0.55) | CYP2A6ALOX15ALDH2MAOAMAOB | |
| SCHEMBL12610480 | 0.73 | CNR1 (0.47) | F2RL3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5434186-A | Antiinflammatory agents | HOFFMANN-LA ROCHE INC. (US) | 1995-07-18 | — | — | US | disclosed |
| US-5273999-A | A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0531823-A1 | Bicyclic carboxylic acid derivatives as anti-inflammatory agents | F. HOFFMANN-LA ROCHE AG (CH) | 1993-03-17 | — | — | EP | disclosed |