Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26073020 | 0.84 | GPR84 (0.39) | ADRA1AGPR84CHRM1AKR1A1CHRM3 | |
| SCHEMBL3443498 | 0.84 | GPR84 (0.39) | ADRA1AGPR84CHRM1AKR1A1CHRM3 | |
| Nitrous Acid SCHEMBL28817705 | 0.78 | GPR84 (0.35) | ADRA1AGPR84CHRM1AKR1A1CHRM3 | |
| SCHEMBL13339645 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL4381154 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR | |
| SCHEMBL3015727 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR | |
| SCHEMBL4387847 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR | |
| SCHEMBL29035779 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR | |
| SCHEMBL3015730 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR | |
| SCHEMBL4378802 | 0.76 | TSHR (0.34) | CACNA2D1ADRA1ACACNB3CACNA1CPGR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1124802-A1 | PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS | Synthon B.V. (NL) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026187-A1 | PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS | SYNTHON B.V. (NL) | 2000-05-11 | — | — | WO | disclosed |