Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19191657 | 0.82 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL20122631 | 0.80 | CYP3A4 (0.31) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL16454730 | 0.80 | SLC22A12 (0.36) | CYP3A4CYP2D6TSHRCYP2C19HRH4 | |
| SCHEMBL18948445 | 0.77 | CYP3A4 (0.38) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL24665770 | 0.75 | NOTUM (0.37) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL19190749 | 0.75 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C19AR | |
| SCHEMBL17808240 | 0.75 | CYP2C9 (0.32) | — | |
| SCHEMBL25797123 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL19366825 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL12299819 | 0.73 | AAK1 (0.35) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 |
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-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |