Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Propionate. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Phenolsulfonic Acid SCHEMBL27934914 | 0.88 | KMT2A (0.64) | CYP1A2CYP2C9KMT2AGAANPSR1 | |
| Ethyl Propionate SCHEMBL27938183 | 0.86 | TSHR (0.55) | CYP2C9KMT2AGAANPSR1ALDH1A1 | |
| SCHEMBL28467557 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2C9KMT2AGAAALDH1A1 | |
| SCHEMBL28167924 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP2C9KMT2AGAAALDH1A1 | |
| Ethyl Acetate SCHEMBL3246104 | 0.84 | ALDH1A1 (0.50) | CYP1A2CYP2C9KMT2AGAANPSR1 | |
| SCHEMBL11471179 | 0.84 | GAA (0.50) | CYP1A2CYP2C9KMT2AGAANPSR1 | |
| Ether SCHEMBL1964593 | 0.82 | ALDH1A1 (0.47) | CYP1A2CYP2C9KMT2AGAAALDH1A1 | |
| Propionic Acid SCHEMBL5147167 | 0.82 | KEAP1 (0.49) | CYP1A2CYP2C9KMT2AGAAALDH1A1 | |
| Propane SCHEMBL28408609 | 0.81 | GAA (0.54) | CYP1A2CYP2C9KMT2AGAAALDH1A1 | |
| Propane SCHEMBL3563886 | 0.81 | GAA (0.54) | CYP1A2CYP2C9KMT2AGAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108864047-A | A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate | 河南师范大学 | 2018-11-23 | — | — | CN | disclosed |