Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Esculetin. 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 | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 13/20 | 0.82 |
| ▸ | CA12 | O43570 | 9/20 | 0.82 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.82 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.82 |
| ▸ | HPGD | P15428 | 4/20 | 0.82 |
| ▸ | CASP1 | P29466 | 4/20 | 0.82 |
| ▸ | CASP7 | P55210 | 4/20 | 0.82 |
| ▸ | GLA | P06280 | 4/20 | 0.82 |
| ▸ | GAA | P10253 | 4/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.82 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.82 |
| ▸ | LMNA | P02545 | 1/20 | 0.82 |
| ▸ | BCHE | P06276 | 1/20 | 0.82 |
| ▸ | MAPT | P10636 | 1/20 | 0.82 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Esculetin SCHEMBL6703123 | 0.95 | CA9 (0.85) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL6867015 | 0.91 | CA9 (1.00) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL24641 | 0.91 | CA9 (1.00) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL29569228 | 0.91 | CA9 (1.00) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL1736697 | 0.89 | CA9 (0.96) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL8708221 | 0.89 | CA9 (0.96) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL30120615 | 0.89 | CA9 (0.96) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL29163498 | 0.89 | CA9 (0.96) | CA9CA12MCL1KDM4EAKR1B1 | |
| Esculetin SCHEMBL6263563 | 0.88 | CA9 (0.74) | CA9CA12MCL1KDM4EAKR1B1 | |
| SCHEMBL4640781 | 0.83 | CA9 (1.00) | CA9CA12MCL1KDM4EAKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0614896-B1 | Esculetin derivatives and pharmaceutical composition | KUREHA CHEMICAL IND CO LTD (JP) | 1998-12-30 | — | — | EP | disclosed |