Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.36 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.36 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9480291 | 0.80 | HSD17B10 (0.47) | CYP1A2CYP3A4CYP2C9HIF1AMAOB | |
| SCHEMBL1932895 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8638049 | 0.74 | GPR84 (0.41) | MAOBGPR84MAOA | |
| SCHEMBL28671423 | 0.71 | MAOB (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9216740 | 0.69 | DDAH1 (0.41) | MAOBNOS1MAOA | |
| SCHEMBL3868680 | 0.68 | MAOA (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11705911 | 0.68 | MAOB (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9813801 | 0.68 | MAOA (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23169435 | 0.67 | BACE1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Isothiocyanate SCHEMBL6153770 | 0.67 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-5510379-A | USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |