Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13134702 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL7339111 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL6176771 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL30880235 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL12200321 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1154786 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL110315 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL30270396 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1155486 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL31087888 | 0.75 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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 3 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 |