Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 3/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12177745 | 0.87 | ALDH1A1 (0.69) | ALDH1A1KDM4ELMNATDP1HPGD | |
| SCHEMBL398700 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4ELMNATDP1DRD1 | |
| SCHEMBL2388620 | 0.85 | CYP2A6 (0.46) | ALDH1A1KDM4ELMNATDP1CYP2A6 | |
| SCHEMBL28926277 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNATDP1CYP2A6 | |
| SCHEMBL2561619 | 0.80 | ALDH1A1 (0.66) | ALDH1A1KDM4ELMNATDP1HSD17B10 | |
| SCHEMBL25288128 | 0.78 | CYP2A6 (0.58) | ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL1666706 | 0.78 | CYP2A6 (0.58) | ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL976904 | 0.78 | CYP2A6 (0.58) | ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1 | |
| Hydrochloric Acid SCHEMBL11476850 | 0.75 | CYP2A6 (0.55) | ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1 | |
| Hydrogen Sulfide SCHEMBL21407995 | 0.75 | CYP2A6 (0.55) | ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1685836-A2 | Antifungal activity of dicationic molecules | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2006-08-02 | — | — | EP | disclosed |
| US-6326395-B1 | AMIDINE OR AMIDE SUBSTITUTED FURAN DERIVATIVES | DUKE UNIVERSITY | 2001-12-04 | — | — | US | disclosed |
| EP-1143959-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000015212-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-03-23 | — | — | WO | disclosed |