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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724937 | 0.94 | MCHR1 (0.46) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL11016054 | 0.94 | MCHR1 (0.46) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL22832213 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL22832210 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL8505195 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| Hexane SCHEMBL7122950 | 0.84 | MCHR1 (0.53) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| Pentane SCHEMBL28482247 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL306554 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL11787716 | 0.83 | MCHR1 (0.44) | ALDH1A1CYP2C9LMNATDP1TSHR | |
| SCHEMBL7210456 | 0.83 | MCHR1 (0.44) | ALDH1A1CYP2C9LMNATDP1TSHR |
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-7659430-B2 | Method for separating hydrogen chloride and phosgene | BASF AKTIENGESELLSCHAFT (DE) | 2010-02-09 | — | — | US | disclosed |
| US-20070293707-A1 | Method for Separating Hydrogen Chloride and Phosgene | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-20 | — | — | 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 (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-20070293707-A1 | Method for Separating Hydrogen Chloride and Phosgene | PSPH, SLC9B2, HVCN1 | ALDH1A1 4716/4885CYP2C9 1745/4885LMNA 3631/4885 |
“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.