Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11156530 | 0.92 | ESR1 (0.42) | ESR1ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11158234 | 0.91 | ESR1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11266962 | 0.89 | ESR1 (0.39) | ESR1ADRB2ADRB1ADRB3PTPN2 | |
| SCHEMBL11619336 | 0.88 | CA1 (0.41) | ESR1ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11159050 | 0.87 | ESR1 (0.42) | ESR1ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11162893 | 0.86 | ESR1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11179265 | 0.83 | ESR1 (0.39) | ESR1ADRB2ADRB1ADRB3PTPN2 | |
| SCHEMBL11619642 | 0.80 | NCOA1 (0.40) | ADRB2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL11621429 | 0.80 | TTR (0.40) | ADRB2CYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11169373 | 0.80 | ESR1 (0.40) | ESR1PTPN2PTPN1PTPN11CYP2C19 |
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 |