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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.45 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11390970 | 0.98 | NQO1 (0.58) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL11848511 | 0.97 | NQO1 (0.56) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL11843876 | 0.87 | NQO1 (0.50) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL5139322 | 0.87 | GRIN2D (0.46) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL11854700 | 0.86 | NQO1 (0.49) | NQO1MAPTPIM1DYRK1APIM3 | |
| SCHEMBL11839742 | 0.85 | NQO1 (0.48) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL11839510 | 0.83 | NQO1 (0.44) | NQO1MAPTLMNACA12CA9 | |
| SCHEMBL11852456 | 0.83 | NQO1 (0.46) | NQO1MAPTPIM1DYRK1APIM3 | |
| SCHEMBL5085550 | 0.82 | MAPK1 (0.51) | NQO1MAPTLMNAPIM1DYRK1A | |
| SCHEMBL11388031 | 0.82 | NQO1 (0.58) | NQO1MAPTLMNACA12CA9 |
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-3974289-A | Coumarin derivatives for the treatment of allergies | BEECHAM GROUP LIMITED (EN) | 1976-08-10 | — | — | US | disclosed |