Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31674561 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| SCHEMBL15901558 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| SCHEMBL1047541 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP2A6UNGMAPK1TDP1 | |
| SCHEMBL18678667 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP2A6UNGMAPK1TDP1 | |
| Benzene SCHEMBL28322201 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP2A6UNGMAPK1TDP1 | |
| SCHEMBL28271046 | 0.84 | CES2 (0.68) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| SCHEMBL7187689 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| SCHEMBL17521331 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| SCHEMBL15906941 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP2A6ALDH5A1ABATUNG | |
| Benzaldehyde SCHEMBL28945328 | 0.79 | ALDH1A1 (0.93) | ALDH1A1CYP2A6ALDH5A1ABATUNG |
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-5061795-A | ANTITUMOR AGENTS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1991-10-29 | — | — | US | claimed |
| CN-105745073-B | Lamilate | 日本瑞翁株式会社 | 2018-11-30 | — | — | CN | disclosed |
| CN-103975258-B | Device used for image display antiglare sheet | 大日本印刷株式会社 | 2018-01-09 | — | — | CN | disclosed |