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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CFD | P00746 | 2/20 | 0.41 |
| ▸ | TOP1 | P11387 | 4/20 | 0.41 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8436420 | 0.87 | CFD (0.56) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL8440505 | 0.86 | TDP1 (0.47) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL8437783 | 0.86 | TDP1 (0.47) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL8438097 | 0.81 | MAPT (0.45) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL2350573 | 0.79 | KDM4E (0.55) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL2345862 | 0.78 | TDP1 (0.49) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL6535486 | 0.78 | TDP1 (0.52) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL8437875 | 0.75 | EGFR (0.40) | TDP1POLBL3MBTL1BLMRECQL | |
| SCHEMBL179011 | 0.74 | TOP1 (0.58) | TOP1ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL28190954 | 0.73 | IMPDH2 (0.63) | TDP1POLBL3MBTL1ALDH1A1NPC1 |
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-0732322-B1 | Acetylsalicylic acid derivatives having a vinyl group | UBE INDUSTRIES (JP) | 1999-12-22 | — | — | EP | disclosed |
| US-5693320-A | ANTICOAGULANTS, BIOCOMPATIBILITY, MEDICAL EQUIPMENT | UBE INDUSTRIES, LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0732322-A1 | Acetylsalicylic acid derivatives having a vinyl group | UBE INDUSTRIES, LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |