Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 4/20 | 0.54 |
| ▸ | ACR | P10323 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | PLG | P00747 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9726280 | 0.87 | ACR (0.56) | PRSS1ACRMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL25491843 | 0.87 | MAPT (0.58) | PRSS1ACRMAPTKDM4EHSP90AA1 | |
| SCHEMBL9726273 | 0.86 | STS (0.56) | PRSS1ACRMAPTSMN1; SMN2KMT2A | |
| SCHEMBL8929987 | 0.84 | PRSS1 (0.69) | PRSS1ACRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL9663961 | 0.84 | PRSS1 (0.69) | PRSS1ACRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL8930157 | 0.84 | PRSS1 (0.69) | PRSS1ACRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1101878 | 0.84 | PRSS1 (0.69) | PRSS1ACRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2741098 | 0.84 | PRSS1 (0.69) | PRSS1ACRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7183003 | 0.84 | ACR (0.65) | PRSS1ACRMAPTKDM4EHSP90AA1 | |
| SCHEMBL130184 | 0.83 | PARP10 (0.57) | MAPTKDM4ESMN1; SMN2KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1083167-B1 | Process for the preparation of aryl carboxylate esters | EASTMAN CHEM CO (US) | 2003-04-16 | — | — | EP | disclosed |
| US-6448430-B1 | BY REACTION OF A PHENOL WITH A CARBOXYLIC ACID IN THE PRESENCE OF TRIFLUOROACETIC ACID (TFA) AND TRIFLUOROACETIC ANHYDRIDE (TFAA); RELATIVELY LOW TEMPERATURE | EASTMAN CHEMICAL COMPANY | 2002-09-10 | — | — | US | disclosed |
| EP-1083167-A1 | Process for the preparation of aryl carboxylate esters | EASTMAN CHEMICAL COMPANY (US) | 2001-03-14 | — | — | EP | disclosed |