Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.59 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DNM1 | Q05193 | 9/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10863762 | 0.97 | SLC22A1 (0.61) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL9629148 | 0.94 | SLC22A1 (0.58) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL7200803 | 0.87 | SLC22A1 (0.50) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL8419983 | 0.78 | SLC22A1 (0.61) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL22418852 | 0.78 | — | — | |
| SCHEMBL12578103 | 0.75 | CYP2D6 (0.61) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Bromide SCHEMBL22418854 | 0.75 | CYP2D6 (0.61) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapentylammonium SCHEMBL239120 | 0.74 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL516450 | 0.74 | SLC22A1 (0.47) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Hexane SCHEMBL29287080 | 0.73 | — | — |
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-6069277-A | Amination of electrophilic aromatic compounds by vicarious nucleophilic substitution | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-05-30 | — | — | US | disclosed |
| EP-0835237-A1 | AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-04-15 | — | — | EP | disclosed |
| WO-1996035659-A1 | AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-11-14 | — | — | WO | disclosed |