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 | 0.35 |
| ▸ | DUSP5 | Q16690 | 4/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tiron SCHEMBL22220 | 0.73 | DUSP5 (0.65) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| Tiron SCHEMBL29385574 | 0.73 | DUSP5 (0.65) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| SCHEMBL5310574 | 0.73 | DUSP5 (0.65) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| Water SCHEMBL3205313 | 0.72 | DUSP5 (0.62) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| Ammonia Solution, Strong SCHEMBL9751555 | 0.72 | DUSP5 (0.62) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| SCHEMBL10722008 | 0.72 | DUSP5 (0.62) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| Water SCHEMBL5097417 | 0.72 | DUSP5 (0.62) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| Water SCHEMBL29379961 | 0.72 | DUSP5 (0.62) | DUSP5PTPN1DUSP6SIRT1PRMT1 | |
| SCHEMBL10448366 | 0.70 | DUSP5 (0.51) | DUSP5PTPN1DUSP6APEX1POLB | |
| SCHEMBL31393 | 0.70 | DUSP5 (0.59) | DUSP5PTPN1DUSP6SIRT1PRMT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010079409-A2 | USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS | ECOLAB INC. (US) | 2010-07-15 | — | — | WO | claimed |
| US-7645731-B1 | Use of aminocarboxylate functionalized catechols for cleaning applications | ECOLAB INC. (US) | 2010-01-12 | — | — | US | claimed |
| WO-2010079409-A2 | USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS | ECOLAB INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| US-7645731-B1 | Use of aminocarboxylate functionalized catechols for cleaning applications | ECOLAB INC. (US) | 2010-01-12 | — | — | US | disclosed |