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 | 3/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NMT1 | P30419 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL11231895 | 0.86 | KCNH2 (0.58) | KCNH2ACHEBCHEMMP1MMP2 | |
| SCHEMBL9325422 | 0.84 | TSHR (0.56) | KCNH2MMP1MMP2MMP9MMP8 | |
| SCHEMBL17179999 | 0.84 | SIGMAR1 (0.62) | NMT1CA12CA2CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11441815 | 0.83 | KCNH2 (0.65) | KCNH2KCNJ1TSHRSIGMAR1 | |
| SCHEMBL25326738 | 0.83 | SIGMAR1 (0.53) | KCNH2NMT1CA12CA1CA2 | |
| SCHEMBL4321265 | 0.83 | KCNH2 (0.64) | KCNH2KCNJ1TSHRSIGMAR1 | |
| Hydrochloric Acid SCHEMBL11232654 | 0.82 | KCNH2 (0.62) | KCNH2KCNJ1TSHRSIGMAR1 | |
| SCHEMBL11226293 | 0.81 | KCNH2 (0.52) | KCNH2ACHEBCHECA12CA1 | |
| Oxalic Acid SCHEMBL11231251 | 0.81 | KCNH2 (0.59) | KCNH2MEN1KMT2ATSHRSIGMAR1 | |
| SCHEMBL6170230 | 0.81 | TSHR (0.66) | KCNH2ACHEBCHEMMP1MMP2 |
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 |