Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.56 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.52 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30332536 | 1.00 | CYP2A6 (0.56) | CYP2A6KCNA5KCNN4DPP4LOXL2 | |
| SCHEMBL5144683 | 0.84 | CYP2A6 (0.58) | CYP2A6KCNA5KCNN4CYP3A4ALDH1A1 | |
| SCHEMBL5616194 | 0.83 | DPP4 (0.59) | KCNA5KCNN4DPP4LOXL2CYP11B1 | |
| SCHEMBL439097 | 0.80 | DPP4 (0.63) | DPP4LOXL2KDM4E | |
| SCHEMBL17531788 | 0.78 | CYP2A6 (0.56) | CYP2A6KCNA5KCNN4CYP3A4ALDH1A1 | |
| SCHEMBL29728289 | 0.78 | KCNA5 (0.52) | CYP2A6KCNA5KCNN4LOXL2CYP3A4 | |
| SCHEMBL3288245 | 0.78 | DPP4 (0.46) | CYP2A6KCNA5KCNN4DPP4LOXL2 | |
| SCHEMBL16634971 | 0.77 | LOXL2 (0.44) | CYP2A6KCNA5LOXL2CYP3A4ALDH1A1 | |
| SCHEMBL3288789 | 0.76 | DPP4 (0.62) | CYP2A6KCNA5DPP4LOXL2CYP3A4 | |
| SCHEMBL7092910 | 0.76 | CYP2A6 (0.67) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342844-A | 7-substituted quinolones and naphthyridones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1994-08-30 | — | — | US | disclosed |