Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15125809 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4662102 | 0.90 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL4998468 | 0.90 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL14779809 | 0.86 | ALDH1A1 (0.37) | ALDH1A1CA1CA2PRKCAPRKCD | |
| SCHEMBL6229260 | 0.85 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL6162071 | 0.85 | TP53 (0.39) | ALDH1A1CA1CA2 | |
| SCHEMBL775891 | 0.83 | CA12 (0.35) | CA12CA1CA2CA7CA14 | |
| SCHEMBL28870861 | 0.83 | TP53 (0.38) | CA12CA1CA2CA7CA14 | |
| SCHEMBL7352723 | 0.83 | TP53 (0.38) | CA12CA1CA2CA7CA14 | |
| SCHEMBL14779114 | 0.81 | CA12 (0.34) | CA12CA1CA2CA7CA14 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003178-B | Diheteroaryl compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-112574236-A | RET inhibitor, pharmaceutical composition and application thereof | 广东东阳光药业有限公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-105939997-B | Pyrazole derivatives as DLK inhibitors and uses thereof | 豪夫迈·罗氏有限公司 | 2020-01-21 | — | — | CN | disclosed |
| US-9240614-B2 | Nonaqueous electrolyte solution and electrochemical element using same | UBE INDUSTRIES, LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| EP-2579377-B1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | UBE INDUSTRIES (JP) | 2014-09-03 | — | — | EP | disclosed |
| EP-2579377-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | Ube Industries, Ltd. (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-20130071733-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | UBE INDUSTRIES, LTD. (JP) | 2013-03-21 | — | — | US | disclosed |
| EP-1984473-B1 | HALOGEN-FREE POLYCARBONATE COMPOSITIONS AND ARTICLES FORMED THEREFROM | SABIC INNOVATIVE PLASTICS IP (NL) | 2009-11-25 | — | — | EP | disclosed |