Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21547553 | 0.71 | CHRNB2 (0.38) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19968374 | 0.69 | CHRNB2 (0.37) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL16077761 | 0.68 | GRM5 (0.35) | CYP2A6 | |
| SCHEMBL8566077 | 0.67 | LOXL2 (0.40) | — | |
| SCHEMBL7557671 | 0.67 | RAB9A (0.33) | CHRNB2CHRNA4 | |
| SCHEMBL7554744 | 0.66 | MMP2 (0.32) | — | |
| SCHEMBL8629133 | 0.66 | — | — | |
| SCHEMBL7558996 | 0.66 | — | — | |
| SCHEMBL7557859 | 0.66 | — | — | |
| SCHEMBL7555636 | 0.66 | ACACB (0.30) | — |
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-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |