Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.61 |
| ▸ | CA1 | P00915 | 6/20 | 0.61 |
| ▸ | CA9 | Q16790 | 6/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL21962894 | 0.87 | CA2 (0.61) | CA2CA1CA9CA5AL3MBTL1 | |
| SCHEMBL424814 | 0.85 | L3MBTL1 (0.48) | CA2CA1CA9CA5AL3MBTL1 | |
| SCHEMBL30546511 | 0.85 | L3MBTL1 (0.48) | CA2CA1CA9CA5AL3MBTL1 | |
| SCHEMBL1557539 | 0.84 | L3MBTL1 (0.47) | CA2CA1CA9CA5AL3MBTL1 | |
| SCHEMBL22827685 | 0.83 | MAPT (0.46) | CA2CA1CA9CA5AL3MBTL1 | |
| SCHEMBL21962910 | 0.82 | CA2 (0.63) | CA2CA1CA9CA5ACDK1 | |
| SCHEMBL11226378 | 0.82 | CA2 (0.63) | CA2CA1CA9CA5ACDK1 | |
| SCHEMBL30827404 | 0.82 | CA2 (0.63) | CA2CA1CA9CA5ACDK1 | |
| SCHEMBL22827959 | 0.81 | CA2 (0.61) | CA2CA1CA9CA5ANR4A2 | |
| SCHEMBL9143218 | 0.81 | CA2 (0.61) | CA2CA1CA9CA5ACDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020254697-A1 | FUSED 1,2 THIAZOLES AND 1,2 THIAZINES WHICH ACT AS NL3P3 MODULATORS | AC IMMUNE SA (CH) | 2020-12-24 | — | — | WO | disclosed |
| CN-108164521-B | Parecoxib sodium degradation impurity, and preparation method, detection method and application thereof | 成都新恒创药业有限公司 | 2020-11-13 | — | — | CN | disclosed |
| WO-2017128896-A1 | FXR AGONIST AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-08-03 | — | — | WO | disclosed |