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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.43 |
| ▸ | CTSL | P07711 | 11/20 | 0.43 |
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | CTSB | P07858 | 4/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10544718 | 0.95 | CASP3 (0.47) | CTSKCTSLCTSSCTSBCASP3 | |
| SCHEMBL10541108 | 0.92 | CTSK (0.43) | CTSKCTSLCTSSCTSBCASP3 | |
| SCHEMBL11079706 | 0.92 | CTSK (0.45) | CTSKCTSLCTSSCTSBCASP3 | |
| SCHEMBL10545323 | 0.83 | CTSK (0.45) | CTSKCTSLCTSSCTSBCASP3 | |
| SCHEMBL10546587 | 0.83 | TDP1 (0.35) | — | |
| SCHEMBL10541088 | 0.81 | CTSL (0.65) | CTSKCTSLCTSS | |
| SCHEMBL10546356 | 0.81 | CTSK (0.43) | CTSKCTSLCTSSCTSB | |
| SCHEMBL10546020 | 0.81 | XIAP (0.39) | — | |
| SCHEMBL11285887 | 0.81 | CTSL (0.50) | CTSKCTSLCTSSCTSB | |
| SCHEMBL11287893 | 0.81 | CTSK (0.50) | CTSKCTSLCTSSCTSB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4822788-A | MICROBIOCIDES, BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-04-18 | — | — | US | disclosed |
| US-4822790-A | ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-04-18 | — | — | US | disclosed |
| US-4782147-A | ANTIBIOTIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-11-01 | — | — | US | disclosed |
| US-4675397-A | MICROBIOCIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| US-4665067-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-05-12 | — | — | US | disclosed |
| US-4550105-A | BETA-LACTAMASE INHIBITORS, ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-10-29 | — | — | US | disclosed |
| EP-0030314-A1 | Water-insoluble monoazo dyestuffs, their preparation and use in dyeing and printing synthetic polymeric materials | AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) | 1981-06-17 | — | — | EP | disclosed |
| EP-0021678-A1 | 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof | Takeda Chemical Industries, Ltd. (JP) | 1981-01-07 | — | — | EP | disclosed |