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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 5/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9703327 | 0.97 | KDM4E (0.52) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| SCHEMBL6934200 | 0.89 | TDP1 (0.48) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| SCHEMBL9999311 | 0.89 | TDP1 (0.48) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL93358 | 0.87 | KDM4E (0.59) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL16506703 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL11337509 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL8633448 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL213012 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL11677912 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 | |
| Nitrilotriacetic Acid SCHEMBL31195369 | 0.84 | KDM4E (0.56) | KDM4EMAPTALOX15SMN1; SMN2CA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015026268-A1 | REAGENT ALLOWING FOR MICROORGANISM INACTIVATION, EXTRACTION AND STORAGE OF BACTERIAL DNA IN FORM SUITABLE FOR HIGHLY EFFECTIVE MOLECULAR DIAGNOSTICS | LIMITED LIABILITY COMPANY "NEARMEDIC PLUS" (RU) | 2015-02-26 | — | — | WO | disclosed |
| US-20060107974-A1 | Soot cleaner | LANXESS DEUTSCHLAND GMBH (DE) | 2006-05-25 | — | — | US | disclosed |
| US-6630018-B2 | Lustre and covering power and transparency; for use in paints, printing inks, cosmetics or plastics or as anti-corrosion agents | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2003-10-07 | — | — | US | disclosed |
| US-20030047115-A1 | COLORED AND COATED PLATELETLIKE PIGMENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2003-03-13 | — | — | US | disclosed |
| US-4188305-A | Surfactant for an automatic dishwasher | THE PROCTER & GAMBLE COMPANY (US) | 1980-02-12 | — | — | US | disclosed |