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.
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 | |
|---|---|---|---|---|
| Trichloroacetic Acid SCHEMBL10755500 | 0.74 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL60578 | 0.74 | — | — | |
| SCHEMBL27912772 | 0.73 | — | — | |
| SCHEMBL28601159 | 0.72 | CA4 (0.41) | — | |
| SCHEMBL29002149 | 0.72 | CA4 (0.41) | — | |
| SCHEMBL5714066 | 0.71 | CA4 (0.42) | — | |
| SCHEMBL30541662 | 0.70 | — | — | |
| SCHEMBL28608107 | 0.69 | CA4 (0.39) | — | |
| SCHEMBL6119631 | 0.69 | — | — | |
| Trichloroacetic Acid SCHEMBL18762386 | 0.69 | CA4 (0.47) | — |
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-1058529-A4 | DEODORANT COMPOSITION CONTAINING D-AMINO ACID | GILLETTE CO (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-1058529-A1 | DEODORANT COMPOSITION CONTAINING D-AMINO ACID | THE GILLETTE COMPANY (US) | 2000-12-13 | — | — | EP | disclosed |
| WO-1999038474-A1 | DEODORANT COMPOSITION CONTAINING D-AMINO ACID | THE GILLETTE COMPANY (US) | 1999-08-05 | — | — | WO | disclosed |