Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propyl Gallate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.73 |
| ▸ | SERPINE1 | P05121 | 4/20 | 0.70 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.69 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.69 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.69 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TYR | P14679 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Propyl Gallate SCHEMBL28237088 | 0.95 | ESR1 (0.67) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL22630 | 0.95 | ESR1 (0.80) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL788397 | 0.95 | ESR1 (0.80) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL28626398 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL29910229 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL9389174 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL27667868 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL16678445 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL29437579 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 | |
| Propyl Gallate SCHEMBL8334443 | 0.93 | ESR1 (0.77) | ESR1SERPINE1AKR1C4AKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111747848-B | Method for catalytically synthesizing propyl gallate by using lignin-based catalyst | 遵义市倍缘化工有限责任公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-111747848-A | Method for catalytically synthesizing propyl gallate by using lignin-based catalyst | 遵义市倍缘化工有限责任公司 | 2020-10-09 | — | — | CN | disclosed |