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 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | EEF2K | O00418 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 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 | |
|---|---|---|---|---|
| SCHEMBL6007090 | 0.85 | CYP2D6 (0.50) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| Nitric Acid SCHEMBL9873551 | 0.79 | CYP2D6 (0.44) | CYP2D6MAPK1ALDH1A1LMNACYP1A2 | |
| SCHEMBL6006279 | 0.78 | PTGS2 (0.46) | CYP2D6MAPK1HSD11B1EEF2KCCR5 | |
| SCHEMBL27468204 | 0.77 | CNR1 (0.54) | CYP2D6LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7996500 | 0.75 | SLC6A4 (0.72) | CYP2D6MAPK1ACHELMNACYP1A2 | |
| SCHEMBL6005435 | 0.74 | CYP2D6 (0.50) | CYP2D6MAPK1HSD11B1ALDH1A1POLB | |
| SCHEMBL3677013 | 0.73 | ALDH1A1 (0.52) | MAPK1ALDH1A1BCHEACHEPOLB | |
| SCHEMBL10485597 | 0.73 | ALDH1A1 (0.52) | MAPK1ALDH1A1BCHEACHEPOLB | |
| SCHEMBL6005584 | 0.72 | ALDH1A1 (0.49) | CYP2D6MAPK1ALDH1A1BCHEACHE | |
| SCHEMBL4976401 | 0.72 | CCR2 (0.49) | CCR5 |
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-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 |
| US-6191165-B1 | ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS | ALLELIX NEUROSCIENCE INC. | 2001-02-20 | — | — | 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-20060287298-A1 | Pharmaceutical for treatment of neurological and neuropsychiatric disorders | SLC18A2, SLC6A1, SLC6A11 | CYP2D6 330/4885MAPK1 3422/4885HSD11B1 543/4885 |
“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.