Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.40 |
| ▸ | LDHB | P07195 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | FABP2 | P12104 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678899 | 0.85 | HSD17B1 (0.41) | CYP2C9CYP2C19APPCYP3A4HSD17B1 | |
| SCHEMBL1679633 | 0.84 | CYP2C19 (0.54) | CYP2C9CYP2C19APPAKR1C3AKR1C2 | |
| SCHEMBL1678817 | 0.81 | APP (0.49) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL1679287 | 0.78 | CYP2C19 (0.52) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL10190451 | 0.77 | ESR2 (0.56) | HSD17B1ESR2ESR1 | |
| SCHEMBL28745580 | 0.76 | PTGS1 (0.42) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL1679149 | 0.76 | CYP2C9 (0.48) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL8148942 | 0.76 | PTGS2 (0.51) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL7629389 | 0.75 | GRM1 (0.42) | CYP3A4AKR1C3AKR1C2LDHALDHB | |
| SCHEMBL1678537 | 0.75 | AKR1C3 (0.61) | CYP2C9CYP2C19APPCYP3A4AKR1C3 |
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 |