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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.54 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.54 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 9/20 | 0.68 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.59 |
| ▸ | PHLPP1 | O60346 | 3/20 | 0.59 |
| ▸ | ILK | Q13418 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.52 |
| ▸ | TTPA | P49638 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8894988 | 0.90 | GSTO1 (0.71) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL8652036 | 0.87 | GSTO1 (0.64) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL4259671 | 0.86 | AKT1 (0.91) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL25118581 | 0.84 | AKT1 (0.70) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL29390266 | 0.83 | MEN1 (0.71) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL708419 | 0.83 | MEN1 (0.71) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL8424958 | 0.83 | GSTO1 (0.81) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL3241425 | 0.82 | PSEN1 (0.72) | AKT1GSTO1PDPK1PHLPP1ILK | |
| SCHEMBL25080508 | 0.81 | LMNA (0.72) | AKT1PDPK1PHLPP1ILKLMNA | |
| SCHEMBL25080531 | 0.81 | LMNA (0.72) | AKT1PDPK1PHLPP1ILKLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5643597-A | FREE RADICAL SCAVENGERS | LVMH RECHERCHE (FR) | 1997-07-01 | — | — | US | disclosed |
| US-5603949-A | ANTIALLERGENS; SKIN DISORDERS | LVMH RECHERCHE (FR) | 1997-02-18 | — | — | US | disclosed |