Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25703000 | 0.84 | KDM1A (0.52) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL29783048 | 0.78 | ESR1 (0.41) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL15904797 | 0.78 | ESR1 (0.41) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11281454 | 0.76 | ESR1 (0.48) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11868701 | 0.71 | SHBG (0.53) | ESR1SLC6A4CYP2C19PGRALDH1A1 | |
| SCHEMBL11782367 | 0.71 | SHBG (0.53) | ESR1SLC6A4CYP2C19PGRALDH1A1 | |
| SCHEMBL3963489 | 0.71 | SERPINA6 (0.35) | ESR1ALDH1A1SHBG | |
| SCHEMBL1651204 | 0.70 | PGR (0.63) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL3963486 | 0.70 | — | — | |
| SCHEMBL22192107 | 0.69 | ESR1 (0.64) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 |
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-2011029639-A2 | COMPOUNDS AND METHODS FOR TREATING NEOPLASIA | MEDEXIS S.A. (GR) | 2011-03-17 | — | — | WO | claimed |