Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11174735 | 0.99 | ESR1 (0.44) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11176290 | 0.99 | ESR1 (0.44) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11167853 | 0.97 | ESR1 (0.46) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11261651 | 0.92 | ESR1 (0.42) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11179043 | 0.90 | ESR1 (0.46) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11184488 | 0.89 | ESR1 (0.45) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11171706 | 0.89 | ESR1 (0.45) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11161184 | 0.88 | ESR1 (0.44) | ESR1SCN1ASCN2ASCN3ANPC1 | |
| SCHEMBL11179880 | 0.88 | ESR1 (0.47) | ESR1CYP2D6CYP3A4THPOMTOR | |
| SCHEMBL11265648 | 0.87 | CYP2D6 (0.42) | ESR1CYP2D6CYP3A4THPOMTOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024282-B1 | BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |