Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL10957569 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TDP1HSD17B10ALDH5A1 | |
| Benzene SCHEMBL28625494 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP2A6TDP1HSD17B10ALDH5A1 | |
| SCHEMBL498872 | 0.82 | — | — | |
| Benzaldehyde SCHEMBL8749972 | 0.80 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TDP1HSD17B10ALDH5A1 | |
| Methane SCHEMBL1971238 | 0.79 | CYP2A6 (0.50) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL6516687 | 0.79 | CYP2A6 (0.50) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL6515352 | 0.79 | CYP2A6 (0.50) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT | |
| Chlorobenzene SCHEMBL6142759 | 0.79 | HSD17B10 (0.60) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT | |
| Fluorobenzene SCHEMBL6142825 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT | |
| Toluene SCHEMBL6735569 | 0.79 | CYP2A6 (0.60) | ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38425-E1 | ANTICONVULSANTS ADMINISTERED ORALLLY | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) | 2004-02-10 | — | — | US | claimed |
| EP-0836591-B1 | SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME | UNIV SASKATCHEWAN (CA) | 2001-09-26 | — | — | EP | claimed |