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 | 1/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.76 |
| ▸ | NT5E | P21589 | 1/20 | 0.69 |
| ▸ | DUSP5 | Q16690 | 3/20 | 0.55 |
| ▸ | APEX1 | P27695 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29976911 | 1.00 | PTPN1 (0.76) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL3100229 | 1.00 | PTPN1 (0.76) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| Water SCHEMBL12275539 | 0.98 | PTPN1 (0.73) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL22730239 | 0.98 | PTPN1 (0.73) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL29379230 | 0.94 | NT5E (0.81) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL7598968 | 0.94 | NT5E (0.81) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL31202727 | 0.94 | NT5E (0.81) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| SCHEMBL564761 | 0.94 | NT5E (0.81) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| Water SCHEMBL30148471 | 0.92 | NT5E (0.79) | PTPN1NT5EDUSP5APEX1ALDH1A1 | |
| Chromotropate SCHEMBL564557 | 0.87 | PTPN1 (1.00) | PTPN1NT5EDUSP5APEX1SIRT1 |
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-2004015089-A2 | POLYIONIC ORGANIC ACID FORMULATIONS | GENTERIC, INC. (US) | 2004-02-19 | — | — | WO | disclosed |