Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122626 | 0.82 | HMGCR (0.31) | HMGCR | |
| SCHEMBL10220453 | 0.80 | CYP3A4 (0.35) | HMGCRCYP3A4CYP2D6TSHRCRHBP | |
| SCHEMBL11960338 | 0.77 | CYP3A4 (0.33) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL22856616 | 0.74 | HMGCR (0.30) | HMGCR | |
| SCHEMBL22065025 | 0.73 | NPC1 (0.30) | — | |
| SCHEMBL18699160 | 0.73 | CYP3A4 (0.31) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL786348 | 0.72 | NOS3 (0.36) | CYP3A4CYP2D6TSHRCRHBPCYP2C19 | |
| SCHEMBL15458073 | 0.72 | HMGCR (0.32) | HMGCR | |
| SCHEMBL20122623 | 0.70 | CYP2C19 (0.36) | HMGCRCYP2C19 | |
| SCHEMBL18737510 | 0.69 | — | — |
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 |