Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL20514366 | 1.00 | CYP2D6 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19HPGD | |
| SCHEMBL16876210 | 1.00 | CYP2D6 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19HPGD | |
| SCHEMBL15619355 | 0.78 | ALDH1A1 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19 | |
| SCHEMBL16876467 | 0.78 | ALDH1A1 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19 | |
| SCHEMBL16964293 | 0.78 | ALDH1A1 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19 | |
| SCHEMBL5378210 | 0.78 | ALDH1A1 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19 | |
| SCHEMBL2339328 | 0.77 | TAS1R3 (0.40) | CYP2D6ALDH1A1CYP2C19HPGD | |
| SCHEMBL28719763 | 0.77 | CYP2D6 (0.38) | CYP2D6ALDH1A1TSHRCYP2C19HPGD | |
| SCHEMBL12538591 | 0.75 | TP53 (0.36) | CYP2D6ALDH1A1CYP2C19HPGD | |
| SCHEMBL14831645 | 0.75 | TP53 (0.36) | CYP2D6ALDH1A1CYP2C19HPGD |
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-2863914-B1 | PYRAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-10-03 | — | — | EP | disclosed |