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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HRH2 | P25021 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ATP4B | P51164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8743624 | 0.88 | ACHE (0.76) | ACHEMEN1KMT2AHRH2LMNA | |
| Bromide SCHEMBL8943997 | 0.88 | ACHE (0.76) | ACHEMEN1KMT2AHRH2LMNA | |
| Hydrochloric Acid SCHEMBL8743619 | 0.88 | ACHE (0.76) | ACHEMEN1KMT2AHRH2LMNA | |
| SCHEMBL8342391 | 0.81 | ACHE (0.79) | ACHEMEN1KMT2AHRH2LMNA | |
| SCHEMBL8342390 | 0.81 | ACHE (0.79) | ACHEMEN1KMT2AHRH2LMNA | |
| Bromide SCHEMBL8944149 | 0.80 | ACHE (0.63) | ACHEMEN1KMT2AHRH2LMNA | |
| SCHEMBL10426600 | 0.80 | ACHE (0.78) | ACHEMEN1KMT2AHRH2LMNA | |
| SCHEMBL11228575 | 0.79 | ACHE (0.72) | ACHEMEN1KMT2AHRH2LMNA | |
| SCHEMBL11228578 | 0.79 | ACHE (0.72) | ACHEMEN1KMT2AHRH2LMNA | |
| Nizatidine SCHEMBL769 | 0.78 | ACHE (1.00) | ACHEMEN1KMT2AHRH2LMNA |
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-5574054-A | GASTROINTESTINAL DISORDERS | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |
| EP-0641763-A1 | NOVEL QUATERNARY AMMONIUM SALTS AND USE THEREOF AS MEDICINE | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |