Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 4/20 | 0.69 |
| ▸ | CYP46A1 | Q9Y6A2 | 13/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16049701 | 0.81 | AVPR1A (0.58) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL23581415 | 0.80 | AVPR1A (0.59) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL3833018 | 0.79 | AVPR1A (0.62) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL14840498 | 0.79 | CYP46A1 (0.69) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL14849013 | 0.78 | CYP46A1 (1.00) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL11551933 | 0.78 | DRD2 (0.49) | AVPR1ACYP46A1OPRM1OPRD1OPRK1 | |
| SCHEMBL10663590 | 0.77 | CA12 (0.67) | — | |
| SCHEMBL21977074 | 0.77 | PKLR (0.54) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL22218935 | 0.77 | CYP46A1 (0.78) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| Hydrochloric Acid SCHEMBL11555132 | 0.77 | AVPR1A (0.48) | AVPR1ACYP46A1OPRM1OPRD1OPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970189-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | Agios Pharmaceuticals, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |