Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12894462 | 0.87 | SLC6A3 (0.35) | CYP2D6CYP1A2TSHRSLC6A4SLC6A3 | |
| SCHEMBL12597527 | 0.86 | ESR1 (0.41) | ESR1ESR2TAAR1SLC6A2OPRM1 | |
| SCHEMBL14032660 | 0.81 | ESR1 (0.59) | ESR1ESR2TAAR1SLC6A2ADRB2 | |
| SCHEMBL12894534 | 0.75 | HTR2C (0.52) | TAAR1CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL5112414 | 0.75 | TAAR1 (0.44) | ESR1ESR2TAAR1SLC6A2OPRK1 | |
| SCHEMBL13996943 | 0.68 | CYP2D6 (0.66) | ESR1ESR2TAAR1SLC6A2ADRB2 | |
| SCHEMBL14701564 | 0.64 | CNR1 (0.53) | ESR1ESR2TAAR1SLC6A2CYP2D6 | |
| SCHEMBL25430177 | 0.64 | TRPA1 (0.46) | TAAR1SLC6A2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL22112308 | 0.62 | TAAR1 (0.47) | ESR1ESR2TAAR1SLC6A2CYP2D6 | |
| SCHEMBL12869808 | 0.62 | FOLH1 (0.61) | — |
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-7576079-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-08-18 | — | — | US | disclosed |