Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014915 | 0.83 | CYP2C9 (0.42) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL10357990 | 0.80 | CYP2C19 (0.42) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL10354936 | 0.77 | HPGD (0.60) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL2894539 | 0.76 | CYP2C19 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL1527192 | 0.76 | ALDH1A1 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL8811520 | 0.76 | CYP2C19 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL29697536 | 0.76 | CYP2C19 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL28707980 | 0.76 | ALDH1A1 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL29435914 | 0.76 | ALDH1A1 (0.52) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL8375544 | 0.75 | CYP2C9 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5523495-A | REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0404077-B1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5258529-A | Dehydrohalogenation of corresponding alkene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0404077-A1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-12-27 | — | — | EP | disclosed |