Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.62 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3361207 | 0.79 | HTR2A (0.46) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL6971410 | 0.79 | ESR1 (0.45) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL31028044 | 0.75 | HTR2A (0.40) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL2875252 | 0.74 | MTNR1A (0.43) | ESR1ESR2 | |
| SCHEMBL11573683 | 0.74 | ESR1 (0.60) | ESR1ESR2HTR6HTR2AHTR2C | |
| SCHEMBL6976757 | 0.71 | MTNR1A (0.40) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL10686519 | 0.71 | CYP19A1 (0.59) | CYP26A1CYP19A1 | |
| SCHEMBL20241214 | 0.71 | HTR2A (0.47) | HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL21954285 | 0.70 | MTNR1A (0.40) | ESR1ESR2 | |
| SCHEMBL6976751 | 0.70 | HTR2C (0.38) | ESR1ESR2HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0004591-A1 | Shell catalyst, process for its preparation and its use for the preparation of anthraquinones | BASF Aktiengesellschaft (DE) | 1979-10-17 | — | — | EP | disclosed |