Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL10457534 | 0.72 | EPHX1 (0.44) | EPHX1 | |
| SCHEMBL11172803 | 0.70 | EPHX1 (0.50) | EPHX1 | |
| SCHEMBL13089099 | 0.66 | AURKA (0.41) | CYP1A2CYP2C9CYP2C19AURKARPS6KB1 | |
| SCHEMBL11214073 | 0.65 | TSHR (0.38) | TSHR | |
| SCHEMBL20660117 | 0.64 | TSHR (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14050480 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL15466875 | 0.61 | — | — | |
| SCHEMBL258716 | 0.60 | CYP2C9 (0.62) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL20356738 | 0.59 | PTPN1 (0.45) | TSHR | |
| SCHEMBL23189851 | 0.59 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1964561-A1 | Inhibitors of IMPDH enzyme | Vertex Pharmaceuticals Incorporated (US) | 2008-09-03 | — | — | EP | disclosed |