Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 7/20 | 0.47 |
| ▸ | AR | P10275 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6697978 | 0.82 | ESR1 (0.34) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL6695851 | 0.81 | SLC6A4 (0.57) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11866158 | 0.81 | SLC6A4 (0.57) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL2339067 | 0.76 | SLC6A4 (0.50) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11148382 | 0.76 | SLC6A4 (0.50) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11854328 | 0.75 | ESR1 (0.52) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL11866439 | 0.73 | SLC6A4 (0.61) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL6689931 | 0.72 | SLC6A4 (0.54) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL6687505 | 0.72 | SLC6A4 (0.54) | SLC6A4ESR1CHRM2SLC6A2CYP2C19 | |
| SCHEMBL17634366 | 0.72 | SRD5A2 (0.41) | — |
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-2004101594-A1 | NEW MONO-AND BISMETHYLENE-STEROID DERIVATIVES AND PROCESS FOR THEIR SYNTHESIS | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2004-11-25 | — | — | WO | disclosed |