Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547860 | 0.94 | ESR1 (0.47) | ESR1CHRM1SLC6A2TDP1CYP3A4 | |
| SCHEMBL9547808 | 0.88 | NR5A1 (0.49) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9547831 | 0.87 | NR5A1 (0.51) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9547799 | 0.87 | NR5A1 (0.51) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9761610 | 0.81 | NR5A1 (0.56) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9547755 | 0.81 | NR5A1 (0.56) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9547785 | 0.81 | NR5A1 (0.56) | ESR1CHRM1SLC6A2CYP3A4LMNA | |
| SCHEMBL9328518 | 0.80 | RARB (0.50) | MAPTALDH1A1 | |
| SCHEMBL9547804 | 0.79 | ESR1 (0.44) | ESR1CHRM1SLC6A2TDP1CYP3A4 | |
| SCHEMBL9547806 | 0.79 | ESR1 (0.44) | ESR1CHRM1SLC6A2TDP1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1056636-A | — | — | None | — | — | JP | disclosed |
| EP-0288297-B1 | OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-03-17 | — | — | EP | disclosed |
| US-4985590-A | Optically active benzene derivatives and process for preparation thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-01-15 | — | — | US | disclosed |