Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811534 | 0.77 | SRD5A2 (0.41) | CYP3A4CYP2C19 | |
| SCHEMBL9811566 | 0.75 | PGR (0.52) | LMNACYP3A4ABCB11TSHRCYP2C19 | |
| SCHEMBL8410403 | 0.74 | NR3C1 (0.35) | CYP3A4ABCB11NR3C1PGR | |
| SCHEMBL8624910 | 0.70 | NR3C1 (0.52) | CYP3A4NR3C1PGR | |
| SCHEMBL11324726 | 0.68 | PGR (0.58) | LMNACYP3A4ABCB11TSHRCYP2C19 | |
| SCHEMBL8623329 | 0.68 | NR3C1 (0.51) | LMNACYP3A4ABCB11CYP2C19HIF1A | |
| SCHEMBL11684416 | 0.68 | CYP3A4 (0.40) | LMNACYP3A4ABCB11TSHRCYP2C19 | |
| SCHEMBL15079255 | 0.67 | SRD5A2 (0.37) | LMNACYP3A4ABCB11TSHRCYP2C19 | |
| SCHEMBL17591517 | 0.67 | SRD5A2 (0.37) | LMNACYP3A4ABCB11TSHRCYP2C19 | |
| SCHEMBL15079265 | 0.67 | SRD5A2 (0.37) | LMNACYP3A4ABCB11TSHRCYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0277089-B1 | 11-BETA-ALKYNYL ESTRENES AND ESTRADIENES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-06-12 | — | — | EP | disclosed |