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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 9/20 | 0.38 |
| ▸ | CASP7 | P55210 | 8/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11596278 | 0.88 | CYP1A1 (0.38) | CASP3CASP7CYP1A1PDE4APDE4B | |
| SCHEMBL11596313 | 0.79 | NR1I2 (0.39) | CYP1A1HTTKMT2APOLB | |
| SCHEMBL11745182 | 0.72 | GAA (0.51) | CASP3CASP1KMT2A | |
| SCHEMBL11596316 | 0.69 | CYP1A1 (0.36) | CYP1A1LMNAKMT2APOLB | |
| SCHEMBL11596434 | 0.67 | MAPT (0.36) | LMNAHTTKMT2APOLB | |
| SCHEMBL11653503 | 0.67 | CASP6 (0.53) | CASP3CASP1HTTKMT2A | |
| SCHEMBL11596638 | 0.67 | CA12 (0.36) | LMNAKMT2APOLB | |
| SCHEMBL5451996 | 0.66 | NPC1 (0.55) | PDE4DLMNAHTTKMT2APOLB | |
| SCHEMBL3420629 | 0.65 | MAPT (0.49) | HTTKMT2APOLB | |
| SCHEMBL5447443 | 0.65 | MAPT (0.45) | LMNAHTTKMT2APOLB |
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-4078933-A | OXONOL DYE | FUJI PHOTO FILM CO., LTD. (JA) | 1978-03-14 | — | — | US | disclosed |