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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2150523 | 1.00 | DNM1 (0.48) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| SCHEMBL8723518 | 1.00 | DNM1 (0.48) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| SCHEMBL699896 | 1.00 | DNM1 (0.48) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| Cetrimonium SCHEMBL583796 | 1.00 | DNM1 (0.48) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| Cetrimonium SCHEMBL27594384 | 0.98 | DNM1 (0.47) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| Cetrimonium SCHEMBL28609301 | 0.98 | DNM1 (0.47) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| SCHEMBL28880276 | 0.95 | LMNA (0.45) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| Cetrimonium SCHEMBL27594385 | 0.93 | LMNA (0.52) | DNM1MCHR1ALDH1A1APAF1HSP90AA1 | |
| SCHEMBL2150307 | 0.92 | MCHR1 (0.47) | DNM1MCHR1ALDH1A1LMNACYP2C9 | |
| SCHEMBL2150494 | 0.92 | HTT (0.47) | DNM1MCHR1ALDH1A1HSP90AA1RAD52 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812382-B1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF SE (DE) | 2013-01-23 | — | — | EP | claimed |
| US-20090112017-A1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF AKTIENGESSELLSCHAFT (DE) | 2009-04-30 | — | — | US | claimed |
| 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-7897806-B2 | Reacting primary amines with phosgene in ionic liquid as solvent | BASF AKTIENGESELLSCHAFT (DE) | 2011-03-01 | — | — | US | 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 |
| US-20090112017-A1 | METHOD FOR PRODUCING POLYISOCYANATES | BASF AKTIENGESSELLSCHAFT (DE) | 2009-04-30 | — | — | US | disclosed |
| EP-1988109-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | 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 (1 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-20090112017-A1 | METHOD FOR PRODUCING POLYISOCYANATES | PGLS, INMT, PNMT | DNM1 3850/4885MCHR1 599/4885ALDH1A1 4028/4885 |
“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.