Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16700705 | 0.79 | CYP2D6 (0.33) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL871831 | 0.74 | TSHR (0.37) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL16700783 | 0.70 | CYP2D6 (0.35) | CYP2D6ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL17969539 | 0.69 | TSHR (0.33) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL15166890 | 0.68 | MAPK1 (0.33) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL22747787 | 0.68 | CYP2D6 (0.33) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL29843613 | 0.66 | — | — | |
| SCHEMBL10081209 | 0.65 | TSHR (0.46) | CYP2D6ALDH1A1TSHRLMNA | |
| SCHEMBL21289831 | 0.63 | TSHR (0.34) | CYP2D6ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL16730627 | 0.62 | TSHR (0.30) | TSHRLMNA |
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-2015073763-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-21 | — | — | WO | disclosed |