Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Caffeate. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.61 |
| ▸ | TTR | P02766 | 5/20 | 0.91 |
| ▸ | DPP4 | P27487 | 1/20 | 0.91 |
| ▸ | APP | P05067 | 11/20 | 0.72 |
| ▸ | MAOB | P27338 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | CA7 | P43166 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Ethyl Caffeate SCHEMBL28088236 | 0.95 | TTR (0.94) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL30602576 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL30286241 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL31059266 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL782032 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL782033 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL22196845 | 0.95 | TTR (1.00) | TTRDPP4APPMAOBCYP3A4 | |
| SCHEMBL4262076 | 0.93 | TTR (0.94) | TTRDPP4APPMAOBCYP3A4 | |
| SCHEMBL4262080 | 0.93 | TTR (0.94) | TTRDPP4APPMAOBCYP3A4 | |
| Ethyl Caffeate SCHEMBL27648151 | 0.91 | TTR (0.91) | TTRDPP4APPMAOBCYP3A4 |
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-112048780-A | Preparation method of wear-resistant washable antibacterial fabric | 邓生平 | 2020-12-08 | — | — | CN | disclosed |