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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.40 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | SLC7A11 | Q9UPY5 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 3/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.46 |
| ▸ | BRD2 | P25440 | 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 | |
|---|---|---|---|---|
| SCHEMBL8375098 | 1.00 | MAPT (0.51) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL19970680 | 0.91 | MAPT (0.59) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL28222655 | 0.90 | MAPT (0.57) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL11505518 | 0.87 | CA2 (0.56) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL11114297 | 0.87 | MAPT (0.53) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL11213651 | 0.87 | MAPT (0.53) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL11505519 | 0.87 | CA2 (0.56) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL14004211 | 0.85 | RPS6KA3 (0.54) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL12758032 | 0.85 | RPS6KA3 (0.54) | MAPTUSP2MEN1KMT2ANPC1 | |
| SCHEMBL6123730 | 0.85 | RPS6KA3 (0.54) | MAPTUSP2MEN1KMT2ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549342-B1 | Water-soluble azo dyes and polarizing films using the dyes | MITSUI CHEMICALS INC (JP) | 1999-03-10 | — | — | EP | disclosed |
| US-5446135-A | Water soluble | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-08-29 | — | — | US | disclosed |
| US-5318856-A | Durable, heat resistant, neutral-colored film which has been dyed in aqueous trisazo dye bath | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0549342-A2 | Water-soluble azo dyes and polarizing films using the dyes | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-06-30 | — | — | EP | disclosed |