Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | STS | P08842 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 7/20 | 0.42 |
| ▸ | SHBG | P04278 | 2/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11519269 | 1.00 | ESR1 (0.47) | ESR1CYP2C19STSCHRM2ACHE | |
| SCHEMBL11509705 | 0.85 | TDP1 (0.46) | ESR1ARESR2SRD5A2SRD5A1 | |
| SCHEMBL11518186 | 0.83 | SHBG (0.59) | ESR1CYP2C19SLC6A2SLC6A4AR | |
| SCHEMBL11518182 | 0.83 | SHBG (0.59) | ESR1CYP2C19SLC6A2SLC6A4AR | |
| SCHEMBL11517418 | 0.81 | SHBG (0.59) | ESR1CYP2C19ARESR2SRD5A2 | |
| SCHEMBL9623224 | 0.81 | ABCB11 (0.47) | ESR1CYP2C19ARESR2SRD5A2 | |
| SCHEMBL11516179 | 0.80 | CYP19A1 (0.59) | ESR1CYP2C19STSCHRM2ACHE | |
| SCHEMBL11516176 | 0.80 | CYP19A1 (0.59) | ESR1CYP2C19STSCHRM2ACHE | |
| SCHEMBL18944434 | 0.77 | CYP19A1 (0.63) | SRD5A2SHBG | |
| SCHEMBL11517147 | 0.77 | CYP19A1 (0.63) | SRD5A2SHBG |
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 |