Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15983858 | 0.81 | SLC6A4 (0.44) | ROCK2HTR2A | |
| SCHEMBL18685141 | 0.80 | ROCK2 (0.43) | ROCK2METAP2METAP1EPHX1TP53 | |
| SCHEMBL18685142 | 0.80 | ROCK2 (0.43) | ROCK2METAP2METAP1EPHX1TP53 | |
| SCHEMBL4095951 | 0.77 | CYP2A6 (0.41) | CYP2A6EPHX1IDO1CYP1A2CYP3A4 | |
| SCHEMBL3842902 | 0.69 | HTT (0.42) | CYP2A6EPHX1TP53IDO1CYP1A2 | |
| SCHEMBL15703893 | 0.69 | DDR1 (0.40) | CYP2A6EPHX1TP53IDO1CYP1A2 | |
| SCHEMBL27853737 | 0.68 | HTR2A (0.53) | CYP2A6TP53F2HTTLMNA | |
| SCHEMBL1196194 | 0.68 | DDR1 (0.40) | CYP2A6IDO1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL1020032 | 0.68 | DDR1 (0.39) | CYP2A6EPHX1TP53IDO1CYP3A4 | |
| SCHEMBL701343 | 0.67 | CYP2A6 (0.48) | CYP2A6TP53IDO1CYP1A2CYP3A4 |
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 |