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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 3/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26601163 | 0.89 | TSHR (0.46) | CYP2D6ALDH1A1SMN1; SMN2L3MBTL1ACHE | |
| SCHEMBL28120271 | 0.77 | — | — | |
| SCHEMBL1543140 | 0.77 | — | — | |
| SCHEMBL14831175 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17560434 | 0.75 | BIRC2 (0.36) | LMNAALDH1A1BIRC2 | |
| Hydrochloric Acid SCHEMBL28067459 | 0.75 | BIRC2 (0.36) | LMNAALDH1A1BIRC2 | |
| Hydrochloric Acid SCHEMBL27858884 | 0.75 | BIRC2 (0.36) | LMNAALDH1A1BIRC2 | |
| Hydrochloric Acid SCHEMBL27858890 | 0.75 | BIRC2 (0.36) | LMNAALDH1A1BIRC2 | |
| SCHEMBL5734726 | 0.74 | CYP2D6 (0.47) | CYP2D6LMNAALDH1A1HTTKDM4E | |
| SCHEMBL512305 | 0.74 | CYP2D6 (0.47) | CYP2D6LMNAALDH1A1HTTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023204629-A1 | METHOD FOR PRODUCING CFTR ACTIVATOR COMPOUND AND INTERMEDIATE USED THEREFOR | 일동제약(주) | 2023-10-26 | — | — | WO | disclosed |