Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25871383 | 0.84 | CYP2A6 (0.56) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL3424504 | 0.84 | CYP2A6 (0.56) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL14003400 | 0.82 | CYP2A6 (0.54) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL7582709 | 0.82 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL4452255 | 0.81 | CYP2A6 (0.53) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL2665898 | 0.79 | CYP2A6 (0.51) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL2652392 | 0.79 | CYP11B1 (0.54) | CYP2A6CYP3A4NPC1RAB9AALDH1A1 | |
| SCHEMBL2652567 | 0.79 | AXL (0.56) | CYP2A6CYP3A4NPC1RAB9AALDH1A1 | |
| SCHEMBL6171120 | 0.79 | CYP2A6 (0.51) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL14493330 | 0.79 | CYP2A6 (0.54) | CYP2A6MAOAMAOBMAP2K4CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |