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 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2149641 | 1.00 | MCHR1 (0.47) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL2150501 | 1.00 | MCHR1 (0.47) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL2150307 | 1.00 | MCHR1 (0.47) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL9420172 | 0.94 | MCHR1 (0.43) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| Tributylmethylammonium SCHEMBL3189548 | 0.94 | ALDH1A1 (0.43) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL11333816 | 0.93 | CYP2C9 (0.44) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL8723518 | 0.92 | DNM1 (0.48) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL699896 | 0.92 | DNM1 (0.48) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| SCHEMBL2150523 | 0.92 | DNM1 (0.48) | MCHR1ALDH1A1CYP2C9LMNATSHR | |
| Cetrimonium SCHEMBL583796 | 0.92 | DNM1 (0.48) | MCHR1ALDH1A1CYP2C9LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9290656-B2 | Polymerizable composition for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2016-03-22 | — | — | US | disclosed |
| EP-2341091-B1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-12-04 | — | — | EP | disclosed |
| EP-1988109-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-8434866-B2 | Polymerizable composition for optical material, optical material, and method for preparing the optical material | MITSUI CHEMICALS, INC. (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20110190466-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2341091-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | Mitsui Chemicals, Inc. (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-20100075154-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2010-03-25 | — | — | US | disclosed |
| EP-1988109-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| EP-0149246-A2 | Overcoat compositions containing nucleating agents and ion-selective electrodes for co2 determinations | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1985-07-24 | — | — | EP | disclosed |
| EP-0033707-B1 | ELEMENT FOR LIQUID ANALYSIS HAVING INTERFERENT-REMOVAL ZONE AND METHOD FOR USING SAME | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1984-06-20 | — | — | EP | disclosed |
| EP-0030503-B1 | BUFFER OVERCOAT FOR CO2 ION-SELECTIVE ELECTRODES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1984-05-09 | — | — | EP | disclosed |
| US-4303408-A | EXTRACTION ZONE BEFORE INDICATOR ZONE | EASTMAN KODAK COMPANY (US) | 1981-12-01 | — | — | US | disclosed |
| EP-0033707-A1 | Element for liquid analysis having interferent-removal zone and method for using same | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1981-08-12 | — | — | EP | disclosed |
| EP-0030503-A1 | Buffer overcoat for CO2 ion-selective electrodes | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1981-06-17 | — | — | EP | disclosed |
| US-4272328-A | MULTILAYER, METALS, METAL HALIDES | EASTMAN KODAK COMPANY (US) | 1981-06-09 | — | — | US | disclosed |