Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1393197 | 0.80 | — | — | |
| SCHEMBL2460965 | 0.77 | CYP2A6 (0.34) | CYP2A6TSHRALDH1A1 | |
| SCHEMBL1392807 | 0.73 | TP53 (0.32) | TP53AHR | |
| SCHEMBL1392136 | 0.72 | CYP3A4 (0.30) | CYP3A4 | |
| SCHEMBL5142985 | 0.70 | CYP2A6 (0.46) | CYP2A6TP53MAOBTDP1F11 | |
| SCHEMBL9653515 | 0.69 | CYP2A6 (0.44) | CYP2A6TP53MAOBTDP1F11 | |
| SCHEMBL1393071 | 0.68 | — | — | |
| SCHEMBL1392385 | 0.67 | — | — | |
| SCHEMBL1392506 | 0.67 | — | — | |
| SCHEMBL8557932 | 0.67 | CYP2A6 (0.62) | CYP2A6TP53MAOBTDP1F11 |
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-0283310-B1 | N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE | Sankyo Company Limited (JP) | 1993-05-26 | — | — | EP | disclosed |
| US-5028610-A | Calcium Channel Blockers | SANKYO COMPANY LIMITED (JP) | 1991-07-02 | — | — | US | disclosed |