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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4535938 | 1.00 | KCNH2 (0.41) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| SCHEMBL4246464 | 1.00 | KCNH2 (0.41) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| SCHEMBL4539901 | 0.91 | KCNH2 (0.42) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| SCHEMBL4246458 | 0.88 | KCNH2 (0.52) | KCNH2MCHR1HTTLMNACYP2C9 | |
| SCHEMBL4246252 | 0.88 | KCNH2 (0.52) | KCNH2MCHR1HTTLMNACYP2C9 | |
| SCHEMBL4535932 | 0.88 | KCNH2 (0.52) | KCNH2MCHR1HTTLMNACYP2C9 | |
| SCHEMBL17180043 | 0.88 | HTT (0.47) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| Didecyldimethylammonium SCHEMBL2149720 | 0.88 | HTT (0.47) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| SCHEMBL2150494 | 0.88 | HTT (0.47) | KCNH2ALDH1A1MCHR1HTTLMNA | |
| SCHEMBL4250191 | 0.88 | CA2 (0.46) | KCNH2ALDH1A1HTTLMNACYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090171111-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CLARIANT FINANCE (BVI) LIMITED (VG) | 2009-07-02 | — | — | US | disclosed |
| US-20090149668-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CLARIANT INTERNATIONAL, LTD. (CH) | 2009-06-11 | — | — | US | 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 (2 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-20090171111-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CBR3, MSRB3, CBR1 | KCNH2 147/4885ALDH1A1 2112/4885MCHR1 462/4885 |
| US-20090149668-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CBR3, CBR1, AKR1C3 | KCNH2 161/4885ALDH1A1 653/4885MCHR1 619/4885 |
“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.