Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 8/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11077670 | 0.80 | CYP2C19 (0.73) | CYP2C19ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL1679513 | 0.80 | CYP2C19 (0.49) | CYP2C19HSD17B1ESR1ESR2HCAR2 | |
| SCHEMBL1679476 | 0.80 | CYP2C19 (0.59) | CYP2C19AKR1C3AKR1C2APPCYP3A4 | |
| SCHEMBL1679465 | 0.76 | CYP2C19 (0.44) | CYP2C19HSD17B1ESR1ESR2AKR1C3 | |
| SCHEMBL21561158 | 0.76 | CYP2C19 (0.71) | CYP2C19CYP3A4CYP2C9HSD17B10FFAR2 | |
| SCHEMBL19803299 | 0.76 | CYP2C19 (0.71) | CYP2C19CYP3A4CYP2C9HSD17B10FFAR2 | |
| SCHEMBL4029220 | 0.76 | CYP2C19 (0.71) | CYP2C19CYP3A4CYP2C9HSD17B10FFAR2 | |
| SCHEMBL5879216 | 0.75 | CYP2C19 (0.60) | CYP2C19AKR1C3AKR1C2FFAR2 | |
| SCHEMBL624052 | 0.75 | CYP2C19 (0.60) | CYP2C19AKR1C3AKR1C2FFAR2 | |
| SCHEMBL5879212 | 0.75 | CYP2C19 (0.60) | CYP2C19AKR1C3AKR1C2FFAR2 |
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-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |