Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | STS | P08842 | 9/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11514465 | 0.87 | ESR1 (0.58) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL12178072 | 0.85 | SHBG (0.46) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11517479 | 0.83 | CYP3A4 (0.55) | ESR1SLC6A2SLC6A4CYP2C19ALDH1A1 | |
| SCHEMBL11516015 | 0.78 | SHBG (0.52) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11516176 | 0.75 | CYP19A1 (0.59) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| Bolenol SCHEMBL636530 | 0.75 | ESR1 (0.71) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| Bolenol SCHEMBL636531 | 0.75 | ESR1 (0.71) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11516179 | 0.75 | CYP19A1 (0.59) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL10956513 | 0.74 | SHBG (0.39) | ESR1ARCYP3A4CYP19A1SRD5A2 | |
| SCHEMBL10952489 | 0.74 | ESR1 (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| US-4150126-A | ANTITUMOR AND ANTICARCINOGENIC AGENTS AND ANIBODY INHIBITORS | AKTIEBOLAGET LEO (SE) | 1979-04-17 | — | — | US | disclosed |