Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10220453 | 0.79 | CYP3A4 (0.35) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL17808311 | 0.77 | CYP19A1 (0.32) | — | |
| SCHEMBL11960338 | 0.76 | CYP3A4 (0.33) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL16454359 | 0.76 | CYP19A1 (0.31) | — | |
| SCHEMBL16447062 | 0.74 | AAK1 (0.32) | — | |
| SCHEMBL12340827 | 0.73 | CA2 (0.50) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL20122652 | 0.73 | HMGCR (0.34) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL31276010 | 0.71 | HDAC8 (0.31) | — | |
| SCHEMBL17816268 | 0.71 | — | — | |
| SCHEMBL19190828 | 0.71 | CYP1A2 (0.37) | CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |