Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9572481 | 0.89 | DYRK1A (0.43) | CA12CA1CA2CA9DYRK1A | |
| SCHEMBL2538708 | 0.82 | CA12 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29134389 | 0.81 | CA12 (0.53) | CA12CA1CA2CA9DYRK1A | |
| Formaldehyde SCHEMBL28867396 | 0.81 | CA12 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27935953 | 0.80 | CA12 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29371342 | 0.80 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9413724 | 0.80 | SIRT3 (0.55) | DYRK1AALDH1A1KDM4EMKNK1MKNK2 | |
| SCHEMBL21582000 | 0.80 | SIRT3 (0.50) | CA12CA1CA2CA9DYRK1A | |
| SCHEMBL30600926 | 0.80 | SIRT3 (0.55) | DYRK1AALDH1A1KDM4EMKNK1MKNK2 | |
| Formic Acid SCHEMBL28858365 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116997548-A | HTT modulators for the treatment of huntington's disease | CHDI基金会股份有限公司 | 2023-11-03 | — | — | CN | disclosed |
| WO-2023109954-A1 | TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2023-06-22 | — | — | WO | disclosed |
| WO-2014111871-A1 | 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-07-24 | — | — | WO | disclosed |