Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL724866 | 0.85 | CHRNA7 (0.74) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL29485692 | 0.85 | CHRNA7 (0.74) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL5780182 | 0.84 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL8700016 | 0.83 | CYP1A2 (0.66) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL7705277 | 0.81 | CHRNA7 (0.63) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL18569707 | 0.80 | CYP1A2 (0.63) | ALDH1A1CHRNA7TDP1L3MBTL1CYP2A6 | |
| SCHEMBL6176772 | 0.80 | CHRNA7 (0.57) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL1773547 | 0.80 | ESR1 (0.59) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL5066561 | 0.80 | CHRNA7 (0.57) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL78082 | 0.80 | CHRNA7 (0.68) | CHRNA7TDP1L3MBTL1CYP2A6CYP1A2 |
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-0770065-B1 | TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS | CELLTECH R&D LTD (GB) | 2004-03-31 | — | — | EP | disclosed |
| US-6077854-A | Tri-substituted phenyl derivatives and processes for their preparation | CELLTECH THERAPEUTICS, LIMITED (GB) | 2000-06-20 | — | — | US | disclosed |
| US-5786354-A | Tri-substituted phenyl derivatives and processes for their preparation | CELLTECH THERAPEUTICS, LIMITED (GB) | 1998-07-28 | — | — | US | disclosed |