Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | FDPS | P14324 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8831691 | 0.79 | CHRNB2 (0.48) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL5016744 | 0.79 | CYP2A6 (0.61) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10397676 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10397677 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10397678 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL12197999 | 0.76 | CYP2A6 (0.62) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10398983 | 0.74 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10398986 | 0.74 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10398984 | 0.74 | CYP2A6 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL30938347 | 0.73 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544812-B1 | BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS | UPJOHN CO (US) | 1995-04-05 | — | — | EP | claimed |