Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.44 |
| ▸ | CA9 | Q16790 | 17/20 | 0.44 |
| ▸ | CA1 | P00915 | 16/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA6 | P23280 | 4/20 | 0.44 |
| ▸ | CA5A | P35218 | 4/20 | 0.44 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 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 | |
|---|---|---|---|---|
| SCHEMBL31127486 | 1.00 | CA2 (0.44) | CA2CA9CA1CA12CA6 | |
| SCHEMBL20298060 | 0.85 | CA2 (0.41) | CA2CA9CA1CA12CA6 | |
| SCHEMBL29704142 | 0.85 | CA2 (0.41) | CA2CA9CA1CA12CA6 | |
| SCHEMBL14258661 | 0.84 | LPL (0.41) | CA2CA9CA1CA12CA6 | |
| SCHEMBL24669737 | 0.84 | CA2 (0.40) | CA2CA9CA1CA12CA6 | |
| SCHEMBL17441815 | 0.84 | CDK2 (0.47) | CA2CA9CA1CA12CA6 | |
| SCHEMBL31618338 | 0.83 | ELANE (0.41) | CA2CA9CA1CA12CA6 | |
| SCHEMBL17441884 | 0.81 | LDHA (0.47) | CA2CA9CA1CA12CA6 | |
| SCHEMBL29403818 | 0.80 | ALDH1A1 (0.42) | CA2CA9CA1CA12CA6 | |
| SCHEMBL6034212 | 0.80 | ALDH1A1 (0.42) | CA2CA9CA1CA12CA6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078271-A1 | AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海旭成医药科技有限公司 | 2023-05-11 | — | — | WO | disclosed |
| EP-2751093-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013032591-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| EP-1414801-A1 | ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003004472-A1 | ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | ASTRAZENECA AB (SE) | 2003-01-16 | — | — | WO | disclosed |