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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5711407 | 0.89 | CYP2D6 (0.41) | CYP2D6MAPK1ALDH1A1KDM4EHPGD | |
| SCHEMBL2520126 | 0.82 | HTR5A (0.43) | ALDH1A1KMT2A | |
| SCHEMBL29915930 | 0.82 | HTR5A (0.43) | ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL5711485 | 0.80 | HTR5A (0.42) | ALDH1A1KMT2A | |
| SCHEMBL7633687 | 0.75 | ALDH1A1 (0.50) | CYP2D6MAPK1ALDH1A1KDM4EHPGD | |
| Phenothiazine SCHEMBL31210233 | 0.71 | NOX1 (0.53) | CYP2D6MAPK1ALDH1A1KDM4EKMT2A | |
| Phthalimide SCHEMBL217178 | 0.68 | CASP3 (0.55) | CYP2D6MAPK1ALDH1A1KDM4EHPGD | |
| Toluene SCHEMBL180606 | 0.68 | SMN1; SMN2 (0.65) | CYP2D6MAPK1ALDH1A1KDM4EHPGD | |
| SCHEMBL932442 | 0.68 | SMN1; SMN2 (0.73) | CYP2D6MAPK1ALDH1A1KDM4EHPGD | |
| SCHEMBL13836876 | 0.68 | SMN1; SMN2 (0.73) | CYP2D6MAPK1ALDH1A1KDM4EHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105032-B2 | Agents used for dyeing keratinous fibers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-09-12 | — | — | US | claimed |
| US-20050144740-A1 | Agents used for dyeing keratinous fibers | HENKEL AG & CO. KGAA (DE) | 2005-07-07 | — | — | US | claimed |
| US-7105032-B2 | Agents used for dyeing keratinous fibers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20050144740-A1 | Agents used for dyeing keratinous fibers | HENKEL AG & CO. KGAA (DE) | 2005-07-07 | — | — | 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-20050144740-A1 | Agents used for dyeing keratinous fibers | KRT18, TUBB3, DSG1 | CYP2D6 2331/4885MAPK1 1557/4885ALDH1A1 343/4885 |
“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.