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 | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 2/20 | 0.36 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8323952 | 0.88 | HCRTR1 (0.42) | HCRTR1HCRTR2LMNACRHBPKMT2A | |
| SCHEMBL8323688 | 0.79 | CSNK2A1 (0.38) | HCRTR1HCRTR2LMNAKMT2AL3MBTL1 | |
| SCHEMBL9464752 | 0.69 | HCRTR1 (0.49) | HCRTR1HCRTR2 | |
| SCHEMBL8323070 | 0.67 | MAPT (0.42) | HCRTR1HCRTR2LMNAKMT2AL3MBTL1 | |
| SCHEMBL8323690 | 0.67 | NPC1 (0.40) | HCRTR1HCRTR2DHODHMAPTRAB9A | |
| SCHEMBL8322330 | 0.66 | PRKCZ (0.40) | HCRTR1HCRTR2LMNAKMT2AL3MBTL1 | |
| SCHEMBL8809973 | 0.66 | KDM4E (0.37) | LMNARAB9AKDM4ECYP1A2HPGD | |
| SCHEMBL9754376 | 0.65 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP1A2CYP2C19 | |
| SCHEMBL8319649 | 0.65 | MAOB (0.39) | HCRTR1HCRTR2KMT2AMAPTMEN1 | |
| SCHEMBL8435724 | 0.65 | KDM4E (0.53) | HCRTR1HCRTR2LMNAKMT2AL3MBTL1 |
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-0752424-B1 | NICOTINIC ACID DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1999-06-16 | — | — | EP | disclosed |
| US-5877120-A | Nicotinic acid derivatives and herbicides | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1999-03-02 | — | — | US | disclosed |
| EP-0752424-A1 | NICOTINIC ACID DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-01-08 | — | — | EP | disclosed |