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 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | HPN | P05981 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Phenylethyl Alcohol SCHEMBL28633356 | 0.82 | TDP1 (0.53) | ALDH1A1CYP2D6MAPK1CNR2CYP1A2 | |
| SCHEMBL2094124 | 0.80 | TDP1 (0.52) | CYP2D6CNR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6005578 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CNR2CYP1A2BCHEACHE | |
| SCHEMBL10375120 | 0.77 | CA2 (0.53) | ALDH1A1CYP2D6MAPK1CNR2CYP1A2 | |
| SCHEMBL6005435 | 0.76 | CYP2D6 (0.50) | ALDH1A1CYP2D6MAPK1CYP1A2CYP3A4 | |
| SCHEMBL6007090 | 0.76 | CYP2D6 (0.50) | ALDH1A1CYP2D6MAPK1CNR2CA12 | |
| Benzyl Alcohol SCHEMBL1870759 | 0.76 | TSHR (0.52) | ALDH1A1CYP2D6MAPK1CNR2CYP1A2 | |
| Toluene SCHEMBL8820915 | 0.75 | TRPA1 (0.48) | ALDH1A1CNR2ACHE | |
| Toluene SCHEMBL9044191 | 0.75 | TRPA1 (0.48) | ALDH1A1CNR2ACHE | |
| Phenethylamine SCHEMBL11784088 | 0.75 | HTR6 (0.56) | ALDH1A1CYP2D6MAPK1CNR2CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060287298-A1 | Pharmaceutical for treatment of neurological and neuropsychiatric disorders | ALLELIX NEUROSCIENCE INC. | 2006-12-21 | — | — | US | disclosed |
| EP-1014966-B1 | PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | ALLELIX NEUROSCIENCE INC (US) | 2006-08-02 | — | — | EP | disclosed |
| US-7019024-B2 | Pharmaceutical for treatment of neurological and neuropsychiatric disorders | ALLELIX NEUROSCIENCE INC. (US) | 2006-03-28 | — | — | US | disclosed |
| EP-1014966-A4 | PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | ALLELIX NEUROSCIENCE INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-6191165-B1 | ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS | ALLELIX NEUROSCIENCE INC. | 2001-02-20 | — | — | US | disclosed |
| EP-1014966-A1 | PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | Allelix Neuroscience Inc. (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1997045115-A1 | PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | TROPHIX PHARMACEUTICALS, INC. (US) | 1997-12-04 | — | — | WO | 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-20060287298-A1 | Pharmaceutical for treatment of neurological and neuropsychiatric disorders | SLC18A2, SLC6A1, SLC6A11 | ALDH1A1 806/4885CYP2D6 330/4885MAPK1 3422/4885 |
“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.