Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11177988 | 0.95 | CHRM2 (0.47) | CHRM2CYP2A6CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL22922294 | 0.84 | CHRM2 (0.46) | CHRM2CYP2A6CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL30732355 | 0.82 | CYP1A2 (0.50) | CYP2A6CYP1A2CYP2D6CYP3A4TDP1 | |
| SCHEMBL29152282 | 0.82 | CYP1A2 (0.50) | CYP2A6CYP1A2CYP2D6CYP3A4TDP1 | |
| SCHEMBL7545506 | 0.81 | CYP2A6 (0.61) | CHRM2CYP2A6CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL9696232 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2CYP2D6CYP3A4TDP1 | |
| SCHEMBL7405579 | 0.80 | CYP1A2 (0.56) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL7391468 | 0.78 | CYP2C19 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28479002 | 0.78 | L3MBTL1 (0.42) | CHRM2CYP2A6CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL9865840 | 0.77 | CHRNA7 (0.58) | CYP2A6CYP1A2CYP2D6CYP3A4CYP2C9 |
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-4379154-A | Thiocarboxamide derivatives and their use as pharmaceuticals | RHONE-POULENC SANTE (FR) | 1983-04-05 | — | — | US | disclosed |