Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2028947 | 0.78 | GRM5 (0.37) | FFAR1OPRM1OPRL1MMP12 | |
| SCHEMBL1900539 | 0.78 | ACACB (0.30) | — | |
| SCHEMBL1900135 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1899248 | 0.77 | FFAR1 (0.31) | FFAR1OPRM1OPRL1PTGES | |
| SCHEMBL14118801 | 0.76 | AKT1 (0.36) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1900125 | 0.75 | CTSL (0.32) | CYP2C9OPRM1OPRL1 | |
| SCHEMBL1352509 | 0.72 | OPRL1 (0.39) | CYP1A2CYP2C9OPRM1OPRL1 | |
| SCHEMBL2030849 | 0.70 | OPRL1 (0.38) | CYP1A2CYP2C9OPRM1OPRL1 | |
| SCHEMBL1902393 | 0.69 | ROCK2 (0.38) | FFAR1MMP12 | |
| SCHEMBL1352136 | 0.68 | CCR2 (0.43) | CYP1A2CYP2C9CYP2C19OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011055115-A1 | AKT / PKB INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2011-05-12 | — | — | WO | disclosed |