Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL29361018 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL820155 | 0.97 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2LMNA | |
| 3-Methylpyridine SCHEMBL10530 | 0.97 | — | — | |
| Toluene SCHEMBL11733987 | 0.95 | LMNA (0.55) | CYP2A6CYP3A4ALDH1A1CYP1A2LMNA | |
| 3-Methylpyridine SCHEMBL1276823 | 0.95 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2LMNA | |
| 3-Methylpyridine SCHEMBL6514889 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL3957265 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL6509626 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL4759127 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL493021 | 0.94 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872136-A | Arylheteroaryl inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| EP-0891361-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036901-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | disclosed |
| US-4175195-A | REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-11-20 | — | — | US | disclosed |