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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | AXL | P30530 | 2/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29362558 | 0.96 | MAPK1 (0.45) | MAPK1AXLNUDT1AHRBRD4 | |
| SCHEMBL414134 | 0.96 | MAPK1 (0.45) | MAPK1AXLNUDT1AHRBRD4 | |
| SCHEMBL28358707 | 0.93 | MAPK1 (0.44) | MAPK1AXLNUDT1AHRBRD4 | |
| Ethoxycarbonyl Group SCHEMBL27554420 | 0.76 | BRD4 (0.35) | MAPK1AXLNUDT1BRD4 | |
| SCHEMBL12798351 | 0.73 | AXL (0.45) | MAPK1AXLNUDT1AHRBRD4 | |
| SCHEMBL28019464 | 0.71 | PARP1 (0.39) | MAPK1AHRCYP2A6NR4A2DYRK1A | |
| SCHEMBL1045770 | 0.70 | — | — | |
| SCHEMBL31276718 | 0.68 | AXL (0.45) | MAPK1AXLNUDT1AHRBRD4 | |
| SCHEMBL343400 | 0.68 | ADORA2A (0.57) | MAPK1AXLNUDT1BRD4PRKCI | |
| SCHEMBL4063067 | 0.68 | AXL (0.45) | MAPK1AXLNUDT1AHRBRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110790776-B | Electron-transport conjugated small-molecule semiconductor material | 合肥工业大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-110790776-A | Electron-transport conjugated small-molecule semiconductor material | 合肥工业大学 | 2020-02-14 | — | — | CN | disclosed |