Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10749800 | 0.88 | GAA (0.52) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| SCHEMBL5422817 | 0.88 | GAA (0.52) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| SCHEMBL1114285 | 0.87 | CYP2D6 (0.44) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| Propyne SCHEMBL28767946 | 0.86 | ALDH1A1 (0.52) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| Propane SCHEMBL28408609 | 0.86 | GAA (0.54) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| Propane SCHEMBL3563886 | 0.86 | GAA (0.54) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| Propionitrile SCHEMBL28654588 | 0.85 | GLA (0.51) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| SCHEMBL4429977 | 0.84 | ALDH1A1 (0.44) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| SCHEMBL6603272 | 0.84 | CYP2D6 (0.44) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| Alcohol SCHEMBL282126 | 0.84 | GAA (0.52) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115458809-B | Electrolyte and lithium ion battery comprising same | 湖州昆仑亿恩科电池材料有限公司 | 2024-12-13 | — | — | CN | claimed |
| EP-2225227-B1 | 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists | BOEHRINGER INGELHEIM INT (DE) | 2015-08-26 | — | — | EP | disclosed |
| US-8110575-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-07 | — | — | US | disclosed |
| US-20110021500-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| US-20100311790-A1 | AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME | SUMITOMO CHIEMCAL COMPANY LIMITED (JP) | 2010-12-09 | — | — | US | disclosed |
| EP-2251339-A2 | COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| EP-2225227-A2 | COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-09-08 | — | — | EP | disclosed |
| EP-2215062-A1 | AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME | Sumitomo Chemical Company, Limited (JP) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009069792-A1 | AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-04 | — | — | WO | disclosed |
| WO-2009065920-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| US-6822101-B2 | REACTING 1-(3-BUTYNYL)-PYRROLIDINE OR -PIPERIDINE WITH PHENOLIC COMPOUND; CYCLIZATION; TREATING WITH BORONIC ACID DERIVATIVE; HISTAMINE-3 RECEPTOR LIGANDS | ABBOTT LABORATORIES | 2004-11-23 | — | — | US | disclosed |
| US-20040133007-A1 | Process for preparing amine-substituted benzofurans | ABBOTT LABORATORIES | 2004-07-08 | — | — | US | disclosed |
| EP-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |
| EP-1192122-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076953-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2000-12-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110021500-A1 | NOVEL COMPOUNDS | CALCRL, CALCR, CALCA | CYP2D6 2020/4885CYP1A2 2207/4885ALDH1A1 1445/4885 |
| US-20040133007-A1 | Process for preparing amine-substituted benzofurans | HRH4, HRH2, HRH3 | CYP2D6 673/4885CYP1A2 578/4885ALDH1A1 1563/4885 |
| US-20100311790-A1 | AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME | ATL3, NAT1, C5 | CYP2D6 3348/4885CYP1A2 1291/4885ALDH1A1 2906/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.