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 | 0.58 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.58 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.58 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | SREBF2 | Q12772 | 4/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SREBF1 | P36956 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | CDC25C | P30307 | 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 | |
|---|---|---|---|---|
| SCHEMBL6201339 | 0.90 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL6198250 | 0.80 | PDE4A (0.67) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL7502906 | 0.78 | PDE4A (0.67) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL8923403 | 0.76 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL6199639 | 0.76 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL8925279 | 0.75 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL6202579 | 0.75 | PDE4A (0.73) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL8923878 | 0.75 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL6198416 | 0.74 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL6197285 | 0.74 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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-5639770-A | SUPEROXIDE INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0600092-A1 | THIAZOLE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-08 | — | — | EP | disclosed |