Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | F2RL1 | P55085 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4779621 | 0.90 | TAAR1 (0.39) | TAAR1HTR1ACYP2D6MTORADK | |
| SCHEMBL4776714 | 0.78 | TAAR1 (0.37) | TAAR1HTR1AMTORADKNISCH | |
| SCHEMBL4779370 | 0.72 | TAAR1 (0.35) | TAAR1HTR1AKCNA5KCNH2CYP2D6 | |
| SCHEMBL5350327 | 0.71 | TAAR1 (0.34) | TAAR1HTR1ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL5234870 | 0.70 | HTT (0.51) | TAAR1HTR1ACYP2D6MTORADK | |
| SCHEMBL4977180 | 0.68 | ALDH3A1 (0.40) | — | |
| SCHEMBL4765598 | 0.68 | HTT (0.40) | TAAR1HTR1AKCNA5KCNH2CYP2D6 | |
| SCHEMBL4723517 | 0.67 | TAAR1 (0.40) | TAAR1HTR1AKCNA5KCNH2CYP2D6 | |
| SCHEMBL4721255 | 0.65 | TAAR1 (0.44) | TAAR1HTR1AKCNA5CYP2D6KCNE1 | |
| SCHEMBL6741597 | 0.65 | TGFBR1 (0.34) | TAAR1HTR1A |
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-2008009963-A2 | PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |