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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.45 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512716 | 0.98 | KDM4E (0.57) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL1268597 | 0.94 | KDM4E (0.50) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL10944382 | 0.94 | KDM4E (0.50) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL427877 | 0.94 | KDM4E (0.50) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL3922190 | 0.90 | KDM4E (0.47) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| Lithium Ion SCHEMBL18954186 | 0.90 | KDM4E (0.45) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| Lithium Ion SCHEMBL19032357 | 0.90 | KDM4E (0.45) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| Lithium Ion SCHEMBL19032485 | 0.90 | KDM4E (0.45) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL6564301 | 0.87 | TDP1 (0.45) | KDM4EALOX15MAPTSMN1; SMN2CA1 | |
| SCHEMBL38663478 | 0.86 | CA1 (0.43) | KDM4EALOX15MAPTSMN1; SMN2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5621008-A | TOPICAL DRUG FOR SKIN DISORDERS | AVON PRODUCTS, INC. (US) | 1997-04-15 | — | — | US | claimed |