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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 2/20 | 0.45 |
| ▸ | POLM | Q9NP87 | 2/20 | 0.43 |
| ▸ | POLK | Q9UBT6 | 2/20 | 0.43 |
| ▸ | POLL | Q9UGP5 | 2/20 | 0.43 |
| ▸ | POLH | Q9Y253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL9182208 | 0.86 | TOP2A (0.52) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL7177559 | 0.85 | ALDH1A1 (0.44) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL10448375 | 0.85 | DUSP5 (0.42) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL10448371 | 0.85 | DUSP5 (0.42) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL727223 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL8334538 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL29775577 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL222194 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL179746 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL | |
| SCHEMBL29375880 | 0.84 | MEN1 (0.51) | ALOX15TOP2APOLMPOLKPOLL |
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 |