Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19387443 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL12801407 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL13976240 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP2A6 | |
| SCHEMBL10742175 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL8915615 | 0.65 | CYP2A6 (0.42) | ALDH1A1HPGDALOX15HTTHSD17B10 | |
| SCHEMBL1838483 | 0.65 | — | — | |
| SCHEMBL9865136 | 0.64 | CYP2A6 (0.33) | ALDH1A1CYP2A6 | |
| SCHEMBL9690746 | 0.64 | — | — | |
| SCHEMBL28667906 | 0.62 | ALDH1A1 (0.45) | ALDH1A1PRKDCERN1 | |
| SCHEMBL13084791 | 0.61 | CYP2A6 (0.56) | ALDH1A1CYP2A6 |
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-4994485-A | Seed and soil fungi, bacteria | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-02-19 | — | — | US | disclosed |
| EP-0234622-B1 | NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-06-27 | — | — | EP | disclosed |
| EP-0234622-A1 | New thio compounds having fungicidal activity | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1987-09-02 | — | — | EP | disclosed |