Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | NMT1 | P30419 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GRK2 | P25098 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27680517 | 0.98 | AKR1B1 (0.47) | AKR1B1DGAT1NMT1CYP3A4CYP2C9 | |
| Anthraquinone SCHEMBL28552953 | 0.88 | PTPRC (0.47) | AKR1B1NMT1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28038557 | 0.83 | ACLY (0.41) | AKR1B1DGAT1NMT1TET2FLT1 | |
| SCHEMBL15845179 | 0.81 | AKR1B1 (0.50) | AKR1B1DGAT1NMT1CYP3A4CYP2C9 | |
| SCHEMBL28144564 | 0.81 | AKR1B1 (0.50) | AKR1B1DGAT1NMT1CYP3A4CYP2C9 | |
| SCHEMBL29430705 | 0.79 | NMT1 (0.49) | AKR1B1DGAT1NMT1L3MBTL1CA1 | |
| SCHEMBL1347919 | 0.79 | AKR1B1 (0.49) | AKR1B1DGAT1NMT1TET2CA12 | |
| SCHEMBL1581645 | 0.79 | NMT1 (0.49) | AKR1B1DGAT1NMT1L3MBTL1CA1 | |
| SCHEMBL15594384 | 0.79 | AKR1B1 (0.49) | AKR1B1DGAT1NMT1CYP3A4CYP2C9 | |
| SCHEMBL30714290 | 0.79 | AKR1B1 (0.49) | AKR1B1DGAT1NMT1TET2CA12 |
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-2023208143-A1 | PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2023-11-02 | — | — | WO | disclosed |
| WO-2018137555-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | 浙江大学 | 2018-08-02 | — | — | WO | disclosed |
| EP-2471363-A1 | Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants | Bayer CropScience AG (DE) | 2012-07-04 | — | — | EP | disclosed |