Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4916209 | 0.78 | HCAR2 (0.44) | ADRA2ALMNACYP2D6ADRA2BTSHR | |
| SCHEMBL858 | 0.75 | CYP2D6 (0.42) | SCN1ASCN2ASCN3ACHRM2ADRA2A | |
| SCHEMBL11627744 | 0.73 | IDO1 (0.42) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL10708013 | 0.73 | HTT (0.44) | SCN1ASCN2ASCN3ACHRM2ADRA2A | |
| SCHEMBL4911976 | 0.73 | LMNA (0.43) | LMNAHTR2ASLC6A4HRH1 | |
| SCHEMBL6670224 | 0.72 | SCN1A (0.42) | SCN1ASCN2ASCN3ACHRM2ADRA2A | |
| SCHEMBL20565396 | 0.71 | SCN1A (0.38) | SCN1ASCN2ASCN3ACHRM2ADRA2A | |
| SCHEMBL461448 | 0.70 | IDO1 (0.47) | SCN1ASCN2ASCN3ACHRM2ADRA2A | |
| SCHEMBL4911785 | 0.70 | AOC3 (0.40) | CHRM1SLC6A2OPRM1DRD3SLC6A3 | |
| SCHEMBL7957888 | 0.70 | SCN1A (0.50) | SCN1ASCN2ASCN3ACHRM2ADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751113-A1 | Optically active phenol derivatives and preparation thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-02 | — | — | EP | disclosed |
| US-5420363-A | Catalytic reaction of phenol with secondary carbinol for enantiomorphs | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| US-5354913-A | Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-10-11 | — | — | US | disclosed |
| EP-0582382-A2 | Optically active phenol derivatives and preparation thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-02-09 | — | — | EP | disclosed |