Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | ACACA | Q13085 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8962630 | 1.00 | RAB9A (0.41) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8963278 | 0.96 | RAB9A (0.43) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8963282 | 0.96 | RAB9A (0.43) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL9450823 | 0.92 | RAB9A (0.41) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8962856 | 0.92 | RAB9A (0.41) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8962847 | 0.91 | RAB9A (0.49) | RAB9AALDH1A1CYP2D6HRH3CYP2C9 | |
| SCHEMBL8962839 | 0.91 | RAB9A (0.49) | RAB9AALDH1A1CYP2D6HRH3CYP2C9 | |
| SCHEMBL8962699 | 0.90 | RAB9A (0.39) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8962703 | 0.90 | RAB9A (0.39) | RAB9AALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL8962695 | 0.89 | NQO1 (0.39) | RAB9AALDH1A1MAPTMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |