Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CHRND | Q07001 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966985 | 0.84 | UGT2B7 (0.45) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL14966998 | 0.84 | UGT2B7 (0.45) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL20215798 | 0.79 | ALDH1A1 (0.39) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL2609187 | 0.79 | LMNA (0.52) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL14182599 | 0.78 | TRPA1 (0.43) | ALDH1A1TRPA1PTGS1CACNA1CSMN1; SMN2 | |
| SCHEMBL30965001 | 0.78 | TSHR (0.44) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL17716410 | 0.78 | HTR7 (0.39) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL30964940 | 0.78 | BLM (0.47) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL16400318 | 0.77 | CHRNA1 (0.38) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL22128459 | 0.77 | CHRNA1 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 |
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-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |