Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10685774 | 0.84 | KMT2A (0.53) | KMT2AMEN1 | |
| SCHEMBL10684674 | 0.84 | CA1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL10688276 | 0.84 | GAA (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10685817 | 0.84 | CA2 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10411120 | 0.84 | KMT2A (0.53) | ALDH1A1LMNARXFP1KMT2AMEN1 | |
| SCHEMBL10409150 | 0.84 | L3MBTL1 (0.51) | ALDH1A1MAPT | |
| SCHEMBL10961135 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL10688698 | 0.83 | CA2 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL10685955 | 0.83 | CA1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL10409545 | 0.83 | KMT2A (0.52) | ALDH1A1LMNARXFP1KMT2AMEN1 |
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-4724235-A | N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia | A. H. ROBINS COMPANY, INCORPORATED (US) | 1988-02-09 | — | — | US | disclosed |
| US-4597902-A | TREATMENT OF CARDIAC ARRHYTHMIAS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1986-07-01 | — | — | US | disclosed |
| EP-0066415-B1 | N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-10-02 | — | — | EP | disclosed |
| EP-0066415-A2 | N-(arylthioalkyl)-N'-(aminoalkyl)ureas | A.H. ROBINS COMPANY, INCORPORATED (US) | 1982-12-08 | — | — | EP | disclosed |