Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17911615 | 0.89 | ALDH1A3 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4163652 | 0.80 | LDHA (0.48) | CA1CA2CA9ALDH1A1TDP1 | |
| SCHEMBL5697814 | 0.80 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4074898 | 0.80 | ACHE (0.46) | CA1CA2CA9ALDH1A1ACHE | |
| SCHEMBL178454 | 0.79 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5512005 | 0.79 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3053959 | 0.78 | ALDH1A1 (0.47) | ALDH1A1ACHESLC6A4MAPTNPSR1 | |
| SCHEMBL11239191 | 0.78 | ESR2 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14150498 | 0.78 | SLC2A1 (0.41) | TAS1R3TAS1R1TAS1R2ALDH1A1TDP1 | |
| SCHEMBL6802075 | 0.78 | POLB (0.47) | ALDH1A1SLC6A4KDM4EGAANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106754853-B | Irreversible affinity labeling reagent for labeling GST and application | 重庆医科大学 | 2020-02-04 | — | — | CN | disclosed |
| CN-106103431-A | Hydroxycarboxamide derivatives and their use | 葛兰素史密斯克莱知识产权（第2 号）有限公司 | 2016-11-09 | — | — | CN | disclosed |