Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5708672 | 0.92 | NPC1 (0.49) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL1939594 | 0.88 | NPC1 (0.55) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL7413114 | 0.82 | ALDH1A1 (0.50) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7012167 | 0.81 | F10 (0.43) | ALDH1A1 | |
| SCHEMBL10724186 | 0.80 | ALDH1A1 (0.48) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL18225990 | 0.80 | ALDH1A1 (0.48) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL10568403 | 0.80 | ALDH1A1 (0.48) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL4741649 | 0.80 | ALDH1A1 (0.48) | NPC1KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL14846541 | 0.79 | MEN1 (0.45) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4409970 | 0.79 | PSIP1 (0.52) | KMT2AMEN1ALDH1A1CYP3A4CYP2C9 |
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 |