Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | USP1 | O94782 | 1/20 | 0.39 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9158239 | 1.00 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL9154340 | 0.87 | NPC1 (0.40) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL9156341 | 0.85 | CYP2A6 (0.44) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL9158742 | 0.85 | CYP2A6 (0.44) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL9156736 | 0.84 | PDE3B (0.42) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL357013 | 0.83 | — | — | |
| SCHEMBL9154247 | 0.83 | GRM5 (0.47) | CYP2A6METAP2EGLN1 | |
| SCHEMBL9766634 | 0.82 | MAPT (0.48) | CYP3A4CHRM5LMNATP53 | |
| SCHEMBL15304176 | 0.82 | RAB9A (0.58) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C19 | |
| SCHEMBL9161126 | 0.82 | RARB (0.47) | CYP2A6CYP2B6CYP2E1CYP3A4LMNA |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |