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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SLC34A1 | Q06495 | 5/20 | 0.41 |
| ▸ | GRM5 | P41594 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22756715 | 0.97 | ALDH1A1 (0.50) | ALDH1A1APOBEC3GTDP1SLC34A1PDK1 | |
| SCHEMBL25407644 | 0.81 | CSNK1D (0.40) | ALDH1A1APOBEC3GTDP1SLC34A1PDK1 | |
| SCHEMBL30567666 | 0.81 | CSNK1D (0.40) | ALDH1A1APOBEC3GTDP1SLC34A1PDK1 | |
| SCHEMBL22536352 | 0.81 | GRM5 (0.38) | ALDH1A1APOBEC3GTDP1SLC34A1PDK1 | |
| SCHEMBL26847586 | 0.78 | PDE2A (0.41) | ALDH1A1TDP1CYP1A2SMN1; SMN2MAPT | |
| SCHEMBL26847580 | 0.75 | GRM5 (0.38) | ALDH1A1APOBEC3GTDP1SLC34A1GRM5 | |
| SCHEMBL16202036 | 0.75 | ALDH1A1 (0.52) | ALDH1A1APOBEC3GTDP1SMN1; SMN2HDAC6 | |
| SCHEMBL24419758 | 0.73 | SLC34A1 (0.44) | ALDH1A1APOBEC3GTDP1SLC34A1GRM5 | |
| SCHEMBL811754 | 0.73 | GRM5 (0.47) | GRM5CYP1A2MAPK14CCR1CCR5 | |
| SCHEMBL25324098 | 0.73 | PDK1 (0.38) | SLC34A1PDK1PDK2GRM5MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116490503-A | Casein kinase 1 delta modulators | 詹森药业有限公司 | 2023-07-25 | — | — | CN | disclosed |