Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11159050 | 0.93 | ESR1 (0.42) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11162893 | 0.92 | ESR1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11174897 | 0.89 | ESR1 (0.39) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11619336 | 0.86 | CA1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11156530 | 0.86 | ESR1 (0.42) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11158234 | 0.85 | ESR1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E | |
| SCHEMBL11621429 | 0.79 | TTR (0.40) | ADRB2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL11619642 | 0.79 | NCOA1 (0.40) | ADRB2CYP1A2CYP3A4 | |
| SCHEMBL11262860 | 0.79 | ESR1 (0.41) | ESR1CYP3A4SERPINE1 | |
| SCHEMBL11154050 | 0.78 | ESR1 (0.41) | ESR1ADRB2ADRB1ADRB3KDM4E |
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-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |