Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.66 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | 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 |
| ▸ | NMT2 | O60551 | 3/20 | 0.41 |
| ▸ | NMT1 | P30419 | 3/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9120110 | 0.96 | CYP2A6 (0.64) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| SCHEMBL7959194 | 0.83 | KCNA3 (0.69) | CYP2A6KCNA3CYP3A4ALOX15BCL2 | |
| SCHEMBL10924687 | 0.82 | KCNA3 (0.54) | CYP2A6KCNA3KDM4ENMT2NMT1 | |
| SCHEMBL11036109 | 0.80 | CYP2A6 (1.00) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| SCHEMBL11655749 | 0.79 | CYP2A6 (0.76) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| SCHEMBL7945707 | 0.79 | CYP2A6 (0.54) | CYP2A6KCNA3CYP3A4ALOX15BCL2 | |
| SCHEMBL10925454 | 0.79 | KCNA3 (0.56) | CYP2A6KCNA3KDM4ENMT2NMT1 | |
| SCHEMBL10919442 | 0.78 | KCNA3 (0.55) | CYP2A6KCNA3KDM4ENMT2NMT1 | |
| SCHEMBL7959441 | 0.76 | MCL1 (0.58) | KDM4EALDH1A1HPGDMCL1 | |
| SCHEMBL11324130 | 0.76 | CYP1A2 (0.44) | CYP3A4KDM4EALDH1A1BCL2MCL1 |
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-0755381-A1 | SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028386-A1 | SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1995-10-26 | — | — | WO | disclosed |