Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11428220 | 0.87 | CYP2A6 (0.80) | CYP2A6ALDH1A1TSHRLMNAALOX12 | |
| Benzenethiol SCHEMBL27908120 | 0.84 | ALDH1A1 (0.65) | CYP2A6ALDH1A1LMNATYRCYP2A13 | |
| Benzaldehyde SCHEMBL2248209 | 0.84 | ALDH1A1 (0.74) | CYP2A6ALDH1A1TSHRLMNAALOX12 | |
| Benzaldehyde SCHEMBL9721845 | 0.84 | ALDH1A1 (0.74) | CYP2A6ALDH1A1TSHRLMNAALOX12 | |
| Benzaldehyde SCHEMBL8068794 | 0.82 | CYP2A6 (0.80) | CYP2A6ALDH1A1TSHRLMNAALOX12 | |
| Ethane SCHEMBL6225838 | 0.82 | CYP2A6 (0.55) | CYP2A6ALDH1A1TSHRTYRCYP2A13 | |
| Toluene SCHEMBL10710211 | 0.82 | ACHE (0.69) | TSHRLMNAALOX12ACHEHPGD | |
| SCHEMBL498872 | 0.82 | — | — | |
| Benzaldehyde SCHEMBL8749972 | 0.80 | ALDH1A1 (0.74) | CYP2A6ALDH1A1TSHRLMNAHSD17B10 | |
| Benzene SCHEMBL5856392 | 0.80 | CYP2A6 (0.84) | CYP2A6ALDH1A1TSHRLMNAALOX12 |
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-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 |
| US-5741818-A | ANTICONVULSANTS | UNIVERSITY OF SASKATCHEWAN (CA) | 1998-04-21 | — | — | US | claimed |