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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B known ✓ | Q07343 | 3/20 | 0.45 |
| ▸ | PDE4C known ✓ | Q08493 | 3/20 | 0.45 |
| ▸ | PDE4D known ✓ | Q08499 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4392507 | 0.95 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL5432054 | 0.89 | LMNA (0.54) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL4171973 | 0.87 | DDB1 (0.43) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL4392504 | 0.85 | ALDH1A1 (0.48) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL4392512 | 0.85 | ALDH1A1 (0.48) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL4392574 | 0.83 | LMNA (0.52) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL5425044 | 0.81 | KDM4E (0.53) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL3983501 | 0.81 | LMNA (0.42) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL3982430 | 0.79 | LMNA (0.56) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL3812661 | 0.78 | KDM4E (0.48) | PDE4APDE4BPDE4CPDE4DRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1628990-B1 | NOVEL 14 AND 15 MEMBERED RING COMPOUNDS | GLAXO GROUP LTD (GB) | 2009-12-02 | — | — | EP | disclosed |
| US-20070141276-A1 | Novel 14 and 15 membered ring compounds | GLAXO GROUP LIMITED (GB) | 2007-06-21 | — | — | US | disclosed |