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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.49 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.49 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 6/20 | 0.39 |
| ▸ | CD40 | P25942 | 1/20 | 0.38 |
| ▸ | CD40LG | P29965 | 1/20 | 0.38 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.38 |
| ▸ | SLC7A11 | Q9UPY5 | 3/20 | 0.38 |
| ▸ | GLB1 | P16278 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11149982 | 0.87 | SIRT1 (0.50) | CA12CA2THRBPRMT1SIRT1 | |
| SCHEMBL7537842 | 0.81 | ENPP2 (0.49) | CA12CA2CA9PTPN7PTPN11 | |
| SCHEMBL7537836 | 0.80 | ENPP2 (0.48) | CA12CA2CA9PTPN7PTPN11 | |
| Naphthalene Trisulfonate SCHEMBL306175 | 0.76 | SIRT1 (0.47) | THRBPTPN7PTPN11PRMT1SIRT1 | |
| Naphthalene Trisulfonate SCHEMBL29381206 | 0.76 | SIRT1 (0.47) | THRBPTPN7PTPN11PRMT1SIRT1 | |
| SCHEMBL28395632 | 0.76 | SIRT1 (0.50) | CA12CA2CA9PRMT1SIRT1 | |
| Naphthalene Trisulfonate SCHEMBL29496604 | 0.74 | SIRT1 (0.46) | THRBPTPN7PTPN11PRMT1SIRT1 | |
| Naphthalene Trisulfonate SCHEMBL29050218 | 0.74 | SIRT1 (0.46) | THRBPTPN7PTPN11PRMT1SIRT1 | |
| SCHEMBL3831401 | 0.73 | PRMT1 (0.58) | CA12CA2CA9PTPN11PRMT1 | |
| Naphthalene Trisulfonate SCHEMBL3821831 | 0.73 | SIRT1 (0.44) | THRBPTPN7PTPN11PRMT1SIRT1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002024816-A1 | ROTAXANE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |