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 | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.79 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.78 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.90 |
| ▸ | MAPT | P10636 | 10/20 | 0.79 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.79 |
| ▸ | SLC22A8 | Q8TCC7 | 2/20 | 0.79 |
| ▸ | SLC22A11 | Q9NSA0 | 2/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | POLB | P06746 | 8/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | APEX1 | P27695 | 1/20 | 0.62 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.54 |
| ▸ | PGR | P06401 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11089531 | 1.00 | TDP1 (0.90) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| Cefoperazone SCHEMBL537680 | 0.94 | TDP1 (1.00) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| SCHEMBL11085291 | 0.93 | MAPT (0.88) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| SCHEMBL11089530 | 0.93 | MAPT (0.88) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| SCHEMBL11085308 | 0.90 | TDP1 (0.73) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| Cefoperazone SCHEMBL6655255 | 0.89 | MAPT (0.99) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| SCHEMBL11092976 | 0.89 | TDP1 (0.78) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| SCHEMBL11083978 | 0.89 | TDP1 (0.78) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| Cefoperazone SCHEMBL16072819 | 0.88 | MAPT (1.00) | TDP1MAPTSLC22A6SLC22A8SLC22A11 | |
| Cefoperazone SCHEMBL15387468 | 0.88 | MAPT (1.00) | TDP1MAPTSLC22A6SLC22A8SLC22A11 |
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-4464366-A | Cephem compounds having a terminal aminocarboxylic acid grouping and containing an azacyclyl(thio)ureido group | CIBA GEIGY CORPORATION (US) | 1984-08-07 | — | — | US | disclosed |