Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL14401626 | 0.76 | CYP1A2 (0.41) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL2524987 | 0.73 | ADH1B (0.43) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL25798184 | 0.73 | CYP1A2 (0.34) | CYP1A2EPHX1SIGMAR1CCR2 | |
| SCHEMBL11967194 | 0.71 | ADH1B (0.39) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL21452647 | 0.70 | CHRNB2 (0.35) | — | |
| SCHEMBL24762935 | 0.69 | CNR2 (0.30) | — | |
| SCHEMBL25007273 | 0.68 | CYP1A2 (0.37) | CYP1A2EPHX1SIGMAR1 | |
| SCHEMBL10453705 | 0.66 | ADH1B (0.39) | CYP1A2ADH1BADH1CADH1AADH4 | |
| SCHEMBL19016270 | 0.66 | EPHX1 (0.33) | CYP1A2EPHX1SIGMAR1CCR2 | |
| SCHEMBL24708894 | 0.65 | — | — |
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-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |