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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 3/20 | 0.55 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.50 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.64 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | APEX1 | P27695 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | RECQL | P46063 | 2/20 | 0.64 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9745801 | 0.88 | TDP1 (0.63) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9745611 | 0.83 | TDP1 (0.61) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9743966 | 0.83 | NR1I2 (0.44) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9551564 | 0.82 | NR1I2 (0.62) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9327558 | 0.82 | TDP1 (0.62) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9327678 | 0.80 | TDP1 (0.62) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| SCHEMBL9744057 | 0.79 | NR1I2 (0.43) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| Cefotaxime SCHEMBL41092 | 0.79 | TDP1 (1.00) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| Cefotaxime SCHEMBL10486935 | 0.79 | TDP1 (1.00) | TDP1MAPTHSD17B10APEX1ALDH1A1 | |
| Cefotaxime SCHEMBL10486930 | 0.79 | TDP1 (1.00) | TDP1MAPTHSD17B10APEX1ALDH1A1 |
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-5147871-A | Anti-bacterial cephalosporin compounds | HOFFMANN LA-ROCHE, INC. (US) | 1992-09-15 | — | — | US | disclosed |