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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL4247159 | 0.82 | GLA (0.43) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL4797198 | 0.81 | GLA (0.42) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL22089686 | 0.77 | GLA (0.46) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL22089693 | 0.77 | CYP2D6 (0.47) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL22090243 | 0.77 | CYP2D6 (0.47) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL22089696 | 0.77 | CYP2D6 (0.47) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL1437604 | 0.76 | GLA (0.51) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL31504465 | 0.76 | ALDH1A1 (0.50) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| Propionitrile SCHEMBL28654588 | 0.76 | GLA (0.51) | GLACYP2D6MAPK1ALDH1A1MEN1 | |
| SCHEMBL5480254 | 0.75 | L3MBTL1 (0.44) | GLACYP2D6MAPK1ALDH1A1MEN1 |
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 | GLA 4729/4885CYP2D6 302/4885MAPK1 1552/4885 |
| US-20090149668-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CBR3, CBR1, AKR1C3 | GLA 4740/4885CYP2D6 180/4885MAPK1 1636/4885 |
“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.