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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11233919 | 0.87 | KCNH2 (0.66) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL11236700 | 0.87 | KCNH2 (0.66) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL11235448 | 0.87 | KCNH2 (0.66) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL11236309 | 0.85 | KCNH2 (0.64) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL11238993 | 0.85 | KCNH2 (0.63) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL11229997 | 0.84 | KCNH2 (0.62) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL3122783 | 0.84 | CHRM2 (0.65) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL9408456 | 0.84 | S1PR1 (0.61) | CHRM2S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL3124265 | 0.84 | CHRM2 (0.65) | KCNH2CHRM2S1PR2S1PR1S1PR3 | |
| SCHEMBL3116995 | 0.84 | CHRM2 (0.65) | KCNH2CHRM2S1PR2S1PR1S1PR3 |
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-4336269-A | ANTIARRHYTHMIA | ELI LILLY AND COMPANY (US) | 1982-06-22 | — | — | US | disclosed |
| US-4277501-A | ANTIARRHYTHMIA AGENTS | ELI LILLY AND COMPANY (US) | 1981-07-07 | — | — | US | disclosed |