Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SHBG | P04278 | 3/20 | 0.42 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10886341 | 1.00 | CYP19A1 (0.55) | CYP19A1NR1I3ALDH1A1GPBAR1LMNA | |
| SCHEMBL5450814 | 0.79 | CYP19A1 (0.59) | CYP19A1NR1I3ALDH1A1 | |
| SCHEMBL2955007 | 0.79 | CYP19A1 (0.59) | CYP19A1NR1I3ALDH1A1 | |
| SCHEMBL11518113 | 0.79 | CYP19A1 (0.59) | CYP19A1GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL13979892 | 0.79 | NR1I3 (0.70) | NR1I3GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL11288957 | 0.79 | CYP19A1 (0.59) | CYP19A1GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL1114521 | 0.79 | CYP19A1 (0.59) | CYP19A1GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL3819956 | 0.79 | NR1I3 (0.70) | NR1I3GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL3819948 | 0.79 | NR1I3 (0.70) | NR1I3GPBAR1LMNASHBGSERPINA6 | |
| SCHEMBL13301080 | 0.79 | CYP19A1 (0.59) | CYP19A1GPBAR1LMNASHBGSERPINA6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0073026-B1 | 17,17-BIS(SUBSTITUTED THIO)-3-KETOANDROSTENES AND PHARMACEUTICAL COMPOSITIONS | E.R. Squibb & Sons, Inc. (US) | 1986-03-19 | — | — | EP | claimed |
| EP-0095749-B1 | 17-SPIROANDROSTENES | E.R. Squibb & Sons, Inc. (US) | 1986-09-17 | — | — | EP | disclosed |
| EP-0073026-B1 | 17,17-BIS(SUBSTITUTED THIO)-3-KETOANDROSTENES AND PHARMACEUTICAL COMPOSITIONS | E.R. Squibb & Sons, Inc. (US) | 1986-03-19 | — | — | EP | disclosed |
| US-4447363-A | Androstene-17-dithioketals | E. R. SQUIBB & SONS, INC. (US) | 1984-05-08 | — | — | US | disclosed |
| EP-0095749-A2 | 17-Spiroandrostenes | E.R. Squibb & Sons, Inc. (US) | 1983-12-07 | — | — | EP | disclosed |
| US-4397782-A | Antiinflammatory 17-spiroandrostenes | E. R. SQUIBB & SONS, INC. (US) | 1983-08-09 | — | — | US | disclosed |
| EP-0073026-A1 | 17,17-Bis(substituted thio)-3-ketoandrostenes and pharmaceutical compositions | E.R. Squibb & Sons, Inc. (US) | 1983-03-02 | — | — | EP | disclosed |
| US-4361559-A | TOPICAL ADMINISTRATION FOR SKIN DISORDERS OF ASTHMA | E. R. SQUIBB & SONS, INC. (US) | 1982-11-30 | — | — | US | disclosed |