Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547777 | 1.00 | NR5A1 (0.36) | NR5A1ESR1ADORA3SLC6A2SLC6A3 | |
| SCHEMBL9547780 | 1.00 | NR5A1 (0.36) | NR5A1ESR1ADORA3SLC6A2SLC6A3 | |
| SCHEMBL9547815 | 0.81 | ACACB (0.43) | AR | |
| SCHEMBL9547817 | 0.81 | ACACB (0.43) | AR | |
| SCHEMBL9547813 | 0.81 | ACACB (0.43) | AR | |
| SCHEMBL9329016 | 0.80 | TP53 (0.43) | ALDH1A1TP53MAPT | |
| SCHEMBL9547808 | 0.80 | NR5A1 (0.49) | NR5A1ESR1ADORA3SLC6A2SLC6A3 | |
| SCHEMBL9049888 | 0.79 | NR5A1 (0.53) | NR5A1ESR1SLC6A2CYP3A4PTGS1 | |
| SCHEMBL9547831 | 0.79 | NR5A1 (0.51) | NR5A1ESR1ADORA3SLC6A2SLC6A3 | |
| SCHEMBL9547799 | 0.79 | NR5A1 (0.51) | NR5A1ESR1ADORA3SLC6A2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |