Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 6/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29582240 | 0.80 | ENPP2 (0.46) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL28799132 | 0.80 | IDO1 (0.41) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL16247947 | 0.80 | ENPP2 (0.46) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL28258396 | 0.79 | CA12 (0.36) | CES2CES1 | |
| SCHEMBL29547555 | 0.78 | ENPP2 (0.58) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL4933 | 0.78 | ENPP2 (0.58) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL17667917 | 0.78 | ENPP2 (0.59) | ENPP2ALDH1A1ACHECA6CA5A | |
| SCHEMBL22500900 | 0.77 | ENPP2 (0.43) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL2320318 | 0.76 | ACHE (0.42) | ENPP2ALDH1A1ACHEPARP1IDO1 | |
| SCHEMBL13989005 | 0.76 | ALDH1A1 (0.61) | ENPP2KDM4EALDH1A1CA4CA7 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108558871-A | Novel tricyclic compound as anticancer agent | 百时美施贵宝公司 | 2018-09-21 | — | — | CN | disclosed |
| CN-108368083-A | heteroaryl compounds and their use as therapeutic agents | 东亚首希控股股份有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108349989-A | Pyrano bipyridine compound | 卫材R&D管理有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-105764901-B | As for treating pyrido [4,3-B] pyrazine -2- formamides of the neurogenic medicine of neurodegenerative disease | 豪夫迈·罗氏有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-106029663-B | Tricyclic compounds as anticancer agents | 百时美施贵宝公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-107428744-A | Novel heterocyclic compounds and its application in medicine and cosmetics | 盖尔德马研究及发展公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105593221-B | Compound with somatostatin receptor agonistic activity and pharmaceutical use thereof | 小野药品工业株式会社 | 2017-09-22 | — | — | CN | disclosed |
| CN-106995415-A | It is used as the fusion benzo oxygen azepine * ketone of ion channel modulators | 吉利德科学公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-104245674-B | Phenyl-tetrahydroisoquinoline derivatives | 霍夫曼-拉罗奇有限公司 | 2017-07-11 | — | — | CN | disclosed |
| CN-104271571-B | Tetrazolinone compound and use thereof | 住友化学株式会社 | 2017-07-07 | — | — | CN | disclosed |
| CN-104245689-B | Terazololine-one compound and its purposes as insecticide | 住友化学株式会社 | 2017-06-06 | — | — | CN | disclosed |
| CN-106794364-A | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2017-05-31 | — | — | CN | disclosed |
| WO-2010056527-A2 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD PALO ALTO, INC. (US) | 2010-05-20 | — | — | WO | disclosed |