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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.70 |
| ▸ | KDM5C | P41229 | 7/20 | 0.70 |
| ▸ | KDM4C | Q9H3R0 | 7/20 | 0.70 |
| ▸ | KDM2A | Q9Y2K7 | 6/20 | 0.70 |
| ▸ | KDM3A | Q9Y4C1 | 6/20 | 0.70 |
| ▸ | KDM4A | O75164 | 4/20 | 0.70 |
| ▸ | KDM6B | O15054 | 3/20 | 0.70 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Dipyridyl SCHEMBL9559929 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL8508022 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL9137473 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL9414412 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL213432 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL29712625 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| SCHEMBL30709735 | 0.97 | KDM4E (0.70) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Dipyridyl SCHEMBL30929488 | 0.95 | KDM4E (0.68) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| SCHEMBL27076816 | 0.89 | KDM5C (0.61) | KDM4EKDM5CKDM4CKDM2AKDM3A | |
| Water SCHEMBL8808738 | 0.87 | KDM5C (0.59) | KDM4EKDM5CKDM4CKDM2AKDM3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003055477-A1 | METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR | 7TM PHARMA A/S (DK) | 2003-07-10 | — | — | WO | disclosed |
| WO-2003003009-A1 | USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS | 7TM PHARMA A/S (DK) | 2003-01-09 | — | — | WO | disclosed |
| WO-2003003008-A1 | CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES | 7TM PHARMA A/S (DK) | 2003-01-09 | — | — | WO | disclosed |