Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 7/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.65 |
| ▸ | LMNA | P02545 | 5/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 9/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | AR | P10275 | 4/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.48 |
| ▸ | SHBG | P04278 | 3/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10949515 | 0.89 | PGR (0.51) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| SCHEMBL10944309 | 0.83 | NR3C1 (0.66) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| Lynestrenol SCHEMBL9699960 | 0.79 | PGR (1.00) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| Lynestrenol SCHEMBL37816 | 0.79 | PGR (1.00) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| Lynestrenol SCHEMBL16180701 | 0.79 | PGR (1.00) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| Lynestrenol SCHEMBL11575942 | 0.78 | PGR (0.98) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| SCHEMBL10948433 | 0.74 | PGR (0.65) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| SCHEMBL10945949 | 0.73 | NR3C1 (0.54) | PGRCYP3A4LMNACYP2C19ALDH1A1 | |
| SCHEMBL10943585 | 0.73 | CYP19A1 (0.45) | — | |
| SCHEMBL10945250 | 0.71 | PGR (0.52) | PGRCYP3A4LMNACYP2C19ALDH1A1 |
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 |