Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL10150484 | 0.76 | CYP2C19 (0.39) | CYP2C19CYP3A4TDP1CYP2C9CHRM2 | |
| SCHEMBL20798246 | 0.76 | CYP3A4 (0.35) | CYP2C19CYP3A4TDP1CYP2C9CHRM2 | |
| SCHEMBL137825 | 0.76 | — | — | |
| SCHEMBL24861605 | 0.72 | CYP3A4 (0.35) | CYP2C19CYP3A4TDP1CYP2C9ALDH1A1 | |
| SCHEMBL19696861 | 0.72 | CYP3A4 (0.35) | CYP2C19CYP3A4TDP1CYP2C9ALDH1A1 | |
| SCHEMBL118102 | 0.72 | CYP3A4 (0.35) | CYP2C19CYP3A4TDP1CYP2C9CHRM2 | |
| SCHEMBL2325790 | 0.72 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL2325783 | 0.72 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL2325787 | 0.72 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL2326051 | 0.72 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 |
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-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |