Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 5/20 | 0.34 |
| ▸ | ESR1 | P03372 | 5/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | PGR | P06401 | 4/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.34 |
| ▸ | SHBG | P04278 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16389288 | 1.00 | SRD5A2 (0.37) | SRD5A2CYP3A4LMNAESR1ABCB11 | |
| SCHEMBL15079265 | 1.00 | SRD5A2 (0.37) | SRD5A2CYP3A4LMNAESR1ABCB11 | |
| SCHEMBL17591517 | 1.00 | SRD5A2 (0.37) | SRD5A2CYP3A4LMNAESR1ABCB11 | |
| SCHEMBL15059190 | 0.89 | PGR (0.38) | SRD5A2CYP3A4LMNAESR1ABCB11 | |
| SCHEMBL15079280 | 0.88 | SRD5A2 (0.36) | SRD5A2 | |
| SCHEMBL16389203 | 0.85 | SRD5A2 (0.33) | SRD5A2 | |
| SCHEMBL17591546 | 0.85 | SRD5A2 (0.35) | SRD5A2 | |
| SCHEMBL16336390 | 0.85 | SRD5A2 (0.35) | SRD5A2 | |
| SCHEMBL16387361 | 0.84 | ESR1 (0.41) | SRD5A2CYP3A4LMNAESR1ABCB11 | |
| SCHEMBL16387346 | 0.84 | ESR1 (0.41) | SRD5A2CYP3A4LMNAESR1ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013092668-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2013-06-27 | — | — | WO | disclosed |