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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.56 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 known ✓ | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 known ✓ | Q16654 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4408502 | 0.86 | ALOX5 (0.59) | ALOX5HDAC1HDAC3POLBHPGD | |
| Salcaprozic Acid SCHEMBL825599 | 0.82 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| Salcaprozic Acid SCHEMBL29509907 | 0.82 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| Salcaprozic Acid SCHEMBL20511604 | 0.82 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| SCHEMBL2331877 | 0.82 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| SCHEMBL253212 | 0.82 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| SCHEMBL31125927 | 0.79 | ALOX5 (0.49) | ALOX5HDAC1HDAC3NAAAHDAC6 | |
| Salcaprozic Acid SCHEMBL26908047 | 0.79 | NAAA (0.67) | ALOX5POLBHPGDNAMPTNAAA | |
| SCHEMBL2335483 | 0.77 | CDK1 (0.67) | ALOX5HDAC1HDAC3NAAAPDK1 | |
| SCHEMBL2330850 | 0.77 | CDK1 (0.67) | ALOX5HDAC1HDAC3NAAAPDK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1535625-B1 | Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin | NOVARTIS AG (CH) | 2014-01-08 | — | — | EP | disclosed |