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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.44 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | DUSP5 | Q16690 | 2/20 | 0.41 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 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 | |
|---|---|---|---|---|
| SCHEMBL343266 | 0.84 | CASR (0.58) | NPC1CA1CA2CA9CASR | |
| SCHEMBL10429504 | 0.83 | CASR (0.56) | NPC1CA1CA2CA9CASR | |
| SCHEMBL30118451 | 0.76 | PTPN1 (0.63) | NPC1CA1CA2CA9DUSP5 | |
| SCHEMBL5147096 | 0.76 | PTPN1 (0.63) | NPC1CA1CA2CA9DUSP5 | |
| SCHEMBL9787955 | 0.74 | CASR (0.48) | NPC1CA1CA2CA9CASR | |
| SCHEMBL8423555 | 0.73 | HDAC1 (0.46) | NPC1CA1CA2CA9CASR | |
| SCHEMBL2791838 | 0.72 | GPR35 (0.54) | NPC1MEN1KMT2AALDH1A1HDAC3 | |
| SCHEMBL18780664 | 0.71 | NPC1 (0.70) | NPC1CA1CA2CA9MEN1 | |
| SCHEMBL18792938 | 0.71 | CA1 (0.74) | NPC1CA1CA2CA9MEN1 | |
| SCHEMBL8592933 | 0.71 | NPC1 (0.70) | NPC1CA1CA2CA9CASR |
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 |
|---|---|---|---|---|---|---|---|
| US-4935500-A | Blue color | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-06-19 | — | — | US | disclosed |
| EP-0099721-B1 | REACTIVE METAL FORMAZAN BLUE DYE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-10-29 | — | — | EP | disclosed |
| EP-0099721-A1 | Reactive metal formazan blue dye | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-02-01 | — | — | EP | disclosed |