Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL9813952 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813921 | 0.85 | MAOB (0.42) | TAAR1SLC6A2ESR1ESR2ADRB2 | |
| SCHEMBL9813912 | 0.85 | MAOB (0.42) | TAAR1SLC6A2ESR1ESR2ADRB2 | |
| SCHEMBL9813875 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813982 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813872 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813944 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813900 | 0.85 | SLC2A1 (0.50) | ADRB2CYP3A4CYP2D6HIF1AADRB1 | |
| SCHEMBL9813936 | 0.84 | AOC3 (0.47) | TAAR1SLC6A2ESR1ESR2OPRM1 | |
| SCHEMBL9813928 | 0.84 | AOC3 (0.47) | TAAR1SLC6A2ESR1ESR2OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5017619-A | Anitdiabetic | HOFFMANN-LA ROCHE INC. (US) | 1991-05-21 | — | — | US | disclosed |
| EP-0198412-B1 | PHENETHANOL AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1989-03-22 | — | — | EP | disclosed |