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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29163226 | 0.93 | MCHR1 (0.68) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| SCHEMBL593014 | 0.93 | MCHR1 (0.68) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| SCHEMBL5875230 | 0.89 | MCHR1 (0.49) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| Acetic Acid SCHEMBL10583302 | 0.88 | MCHR1 (0.61) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| SCHEMBL9719925 | 0.88 | MCHR1 (0.61) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| Pentane SCHEMBL28482247 | 0.87 | ALDH1A1 (0.50) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| Hexane SCHEMBL7122950 | 0.87 | MCHR1 (0.53) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| Phenolsulfonic Acid SCHEMBL28556276 | 0.86 | LMNA (0.59) | MCHR1LMNATDP1SMN1; SMN2 | |
| Octane SCHEMBL8462698 | 0.85 | MCHR1 (0.56) | MCHR1ALDH1A1LMNATDP1CYP2C9 | |
| Dodecane SCHEMBL7126605 | 0.85 | MCHR1 (0.56) | MCHR1ALDH1A1LMNATDP1CYP2C9 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102146070-A | Method for synthesizing glycerol carbonic ester propenyl ether | XU REN | 2011-08-10 | — | — | CN | claimed |
| CN-102146071-A | Method for synthetizing (propylene carbonate) (meth)acrylate | XU REN | 2011-08-10 | — | — | CN | claimed |
| JP-1100911-A | — | — | None | — | — | JP | disclosed |
| CN-103773623-B | Composite enzyme detergent, and preparation method and use thereof | 衢州华宇科技有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-103773623-B | Composite enzyme detergent, and preparation method and use thereof | 衢州华宇科技有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-105017137-A | Method of using malic acid to prepare vitamin B6 | XINFA PHARMACEUTICAL CO LTD | 2015-11-04 | — | — | CN | disclosed |
| CN-103773623-A | Composite enzyme detergent, and preparation method and use thereof | ZHANG FANGJUN | 2014-05-07 | — | — | CN | disclosed |
| CN-102146071-A | Method for synthetizing (propylene carbonate) (meth)acrylate | XU REN | 2011-08-10 | — | — | CN | disclosed |
| CN-102146070-A | Method for synthesizing glycerol carbonic ester propenyl ether | XU REN | 2011-08-10 | — | — | CN | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| EP-0736574-B1 | Thermoplastic resin composition comprising carbonate and acrylic resin | GEN ELECTRIC (US) | 2004-06-02 | — | — | EP | disclosed |
| US-4537720-A | N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1985-08-27 | — | — | US | disclosed |
| US-4504410-A | Organopolysiloxane anti-foaming agents | HENKEL KOMMANDITGESELLSCHAFT (DE) | 1985-03-12 | — | — | US | disclosed |
| US-4474879-A | Process for 3-hydroxymethyl cephalosporin sulfones | ELI LILLY AND COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4459405-A | Desacetylcephalosporin sulfones | ELI LILLY AND COMPANY (US) | 1984-07-10 | — | — | US | disclosed |
| EP-0109816-A1 | N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1984-05-30 | — | — | EP | disclosed |
| EP-0109300-A2 | Desacetylcephalosporin sulfones | ELI LILLY AND COMPANY (US) | 1984-05-23 | — | — | EP | disclosed |
| US-4436596-A | N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1984-03-13 | — | — | US | disclosed |
| US-4082627-A | ELECTROLYTIC REDUCTION OF DIHYDROBENZOPYRANOXANTHENONES | ELI LILLY AND COMPANY (US) | 1978-04-04 | — | — | US | disclosed |
| US-4081458-A | NON-STEROIDAL BENZOPYRANOXANTHENONES | ELI LILLY AND COMPANY (US) | 1978-03-28 | — | — | US | disclosed |