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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.52 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408336 | 0.84 | BCHE (0.51) | ACHEBCHEEGFRERBB2ALDH1A1 | |
| SCHEMBL1563242 | 0.84 | CA2 (0.61) | EGFRALDH1A1TAS2R14KMT2ACA2 | |
| SCHEMBL93796 | 0.84 | CA2 (0.61) | EGFRALDH1A1TAS2R14KMT2ACA2 | |
| SCHEMBL7251659 | 0.83 | BCHE (0.54) | ACHEBCHEEGFRERBB2ALDH1A1 | |
| SCHEMBL31333160 | 0.83 | CYP1A2 (0.55) | ACHEBCHEEGFRERBB2ALDH1A1 | |
| SCHEMBL1589664 | 0.82 | CA2 (0.59) | EGFRALDH1A1TAS2R14KMT2ACA2 | |
| SCHEMBL14862486 | 0.82 | CA2 (0.59) | EGFRALDH1A1TAS2R14KMT2ACA2 | |
| Ammonia Solution, Strong SCHEMBL28149524 | 0.82 | CA2 (0.59) | EGFRALDH1A1TAS2R14KMT2ACA2 | |
| Alcohol SCHEMBL282126 | 0.82 | GAA (0.52) | ALDH1A1KMT2ACA2LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL27699249 | 0.82 | CA2 (0.59) | EGFRALDH1A1TAS2R14KMT2ACA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030144319-A1 | Subtype-selective NMDA receptor ligands and the use thereof | BIGGE CHRISTOPHER F (US) | 2003-07-31 | — | — | US | disclosed |
| US-6534522-B2 | E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis | WARNER-LAMBERT COMPANY | 2003-03-18 | — | — | US | disclosed |
| US-20010051633-A1 | Subtype-selective NMDA receptor ligands and the use thereof | BIGGE CHRISTOPHER F (US) | 2001-12-13 | — | — | US | disclosed |
| US-6218404-B1 | THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE | WARNER-LAMBERT CO. | 2001-04-17 | — | — | US | disclosed |
| WO-1997023458-A1 | SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF | WARNER-LAMBERT COMPANY (US) | 1997-07-03 | — | — | 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 (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-20030144319-A1 | Subtype-selective NMDA receptor ligands and the use thereof | OPRK1, OPRD1, OPRL1 | EGFR 728/4885ERBB2 602/4885ACHE 82/4885 |
| US-20010051633-A1 | Subtype-selective NMDA receptor ligands and the use thereof | OPRK1, OPRD1, OPRL1 | EGFR 728/4885ERBB2 602/4885ACHE 82/4885 |
“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.