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 | 1/20 | 0.75 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.75 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.64 |
| ▸ | PLK1 | P53350 | 1/20 | 0.75 |
| ▸ | CA9 | Q16790 | 1/20 | 0.75 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8614501 | 0.88 | CA1 (0.79) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL13454582 | 0.86 | CA1 (0.75) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL18606712 | 0.86 | CA1 (1.00) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL17066704 | 0.83 | GPR55 (0.86) | CA1CA2PLK1CA9EPHX1 | |
| N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 | 0.83 | EPHX1 (1.00) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL8616503 | 0.82 | EPHX1 (0.83) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL27451748 | 0.80 | MIF (0.83) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL31321777 | 0.80 | ALDH1A1 (0.85) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL13454566 | 0.79 | MAPT (1.00) | CA1CA2PLK1CA9EPHX1 | |
| SCHEMBL24799815 | 0.79 | EPHX1 (0.78) | CA1CA2PLK1CA9EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3190209-B1 | 1-ACYLGUANIDINE COMPOUNDS AND THE USE OF SAID COMPOUNDS IN ELECTROLESS DEPOSITION OF NICKEL AND NICKEL ALLOY COATINGS | ATOTECH DEUTSCHLAND GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| WO-2017118582-A1 | 1-ACYLGUANIDINE COMPOUNDS AND THE USE OF SAID COMPOUNDS IN ELECTROLESS DEPOSITION OF NICKEL AND NICKEL ALLOY COATINGS | ATOTECH DEUTSCHLAND GMBH (DE) | 2017-07-13 | — | — | WO | disclosed |
| EP-3190209-A1 | 1-ACYLGUANIDINE COMPOUNDS AND THE USE OF SAID COMPOUNDS IN ELECTROLESS DEPOSITION OF NICKEL AND NICKEL ALLOY COATINGS | ATOTECH Deutschland GmbH (DE) | 2017-07-12 | — | — | EP | disclosed |