Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.53 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2352584 | 0.87 | MEN1 (0.56) | ALDH1A1MEN1KMT2AMITFGAA | |
| SCHEMBL2843886 | 0.83 | CA12 (0.56) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL3911049 | 0.82 | CA12 (0.54) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL2344100 | 0.82 | CA12 (0.54) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL925339 | 0.82 | MAPT (0.64) | ALDH1A1MEN1KMT2AGAAPOLB | |
| SCHEMBL216113 | 0.82 | CA12 (0.54) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL2940113 | 0.82 | ALDH1A1 (0.65) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL6691641 | 0.82 | MITF (0.55) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL1663647 | 0.82 | CA2 (0.58) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL1395934 | 0.82 | ALDH1A1 (0.71) | CA12CA2CA9ALDH1A1CYP1A2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478131-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116478132-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-110914416-B | Microorganism and method for producing cannabinoids and cannabinoid derivatives | 加州大学董事会 | 2023-07-21 | — | — | CN | disclosed |
| CN-115397809-A | Macrocyclic pantetheine derivatives and uses thereof | 彗星医疗股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-108135871-B | Amine naphthoquinone compounds and pharmaceutical compositions for blocking ubiquitination-proteasome system in diseases | 博蔚医药生物科技股份有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-114641466-A | Sulfonylurea derivatives and use thereof | 诺瑟拉有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-108366979-B | Compounds and pharmaceutical compositions relating to ubiquitination-proteasome system | 博蔚医药生物科技股份有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-108473497-B | EP4 antagonists | 卫材R&D 管理有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-111201232-A | ATF3 inducing compounds | 台北医学大学 | 2020-05-26 | — | — | CN | disclosed |
| CN-110840870-A | Use of selective androgen receptor modulators for the treatment of metastatic and refractory breast cancer | GTX公司 | 2020-02-28 | — | — | CN | disclosed |
| CN-102153481-B | Application of thionyl chloride and alcohol as selective deacylation reagents for N-aryl fatty amide or N-heterocyclic fatty amide | UNIV SOUTHWEST | 2013-09-18 | — | — | CN | disclosed |
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| CN-102153481-A | Application of thionyl chloride and alcohol as selective deacylation reagents for N-aryl fatty amide or N-heterocyclic fatty amide | UNIV SOUTHWEST | 2011-08-17 | — | — | CN | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |