Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 19/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10947056 | 1.00 | CYP19A1 (0.43) | CYP19A1ALDH1A1LMNAESR1PGR | |
| SCHEMBL10596334 | 0.83 | CYP19A1 (0.60) | CYP19A1ALDH1A1LMNA | |
| SCHEMBL10945246 | 0.83 | CYP19A1 (0.60) | CYP19A1ALDH1A1LMNA | |
| SCHEMBL10596342 | 0.83 | CYP19A1 (0.60) | CYP19A1ALDH1A1LMNA | |
| SCHEMBL9547849 | 0.83 | ESR1 (0.50) | CYP19A1ALDH1A1LMNAESR1PGR | |
| SCHEMBL7861153 | 0.76 | CYP19A1 (0.66) | CYP19A1ALDH1A1LMNAESR1PGR | |
| SCHEMBL10942743 | 0.75 | PGR (0.41) | ALDH1A1LMNAESR1PGRCHRM2 | |
| SCHEMBL10948433 | 0.73 | PGR (0.65) | ALDH1A1LMNAESR1PGRCHRM2 | |
| SCHEMBL10943932 | 0.72 | PGR (0.51) | ALDH1A1LMNAESR1PGRCHRM2 | |
| SCHEMBL7862313 | 0.72 | CYP19A1 (0.46) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4557867-A | CONTRACEPTIVES | THE UPJOHN COMPANY (US) | 1985-12-10 | — | — | US | claimed |
| US-4557867-A | CONTRACEPTIVES | THE UPJOHN COMPANY (US) | 1985-12-10 | — | — | US | disclosed |
| EP-0145493-A2 | 11-Difluoromethyl and 11-fluoromethylene steroids | THE UPJOHN COMPANY (US) | 1985-06-19 | — | — | EP | disclosed |