Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4779370 | 0.90 | TAAR1 (0.35) | TAAR1HTR1AMTORADKNISCH | |
| SCHEMBL5346677 | 0.84 | TAAR1 (0.36) | TAAR1HTR1A | |
| SCHEMBL4776169 | 0.80 | TAAR1 (0.36) | TAAR1HTR1AMTORADKNISCH | |
| SCHEMBL5350327 | 0.73 | TAAR1 (0.34) | TAAR1HTR1ACYP2D6 | |
| SCHEMBL4779621 | 0.72 | TAAR1 (0.39) | TAAR1HTR1AMTORADKNISCH | |
| SCHEMBL9630239 | 0.71 | MAPT (0.40) | CYP2D6TSHR | |
| SCHEMBL6417143 | 0.67 | CYP2C19 (0.37) | HTR1ANISCHCYP2D6TSHR | |
| SCHEMBL5234870 | 0.67 | HTT (0.51) | TAAR1HTR1AMTORADKNISCH | |
| SCHEMBL4268278 | 0.66 | TAAR1 (0.47) | TAAR1HTR1ANISCHCYP2D6TSHR | |
| SCHEMBL350461 | 0.66 | TSHR (0.38) | CYP2D6TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008009963-A2 | PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 2008-01-24 | — | — | WO | claimed |
| WO-2008009963-A2 | PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |