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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 11/20 | 0.48 |
| ▸ | MAPT | P10636 | 10/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 6/20 | 0.48 |
| ▸ | POLB | P06746 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | APEX1 | P27695 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5500857 | 0.94 | TDP1 (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5505733 | 0.93 | TDP1 (0.47) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5506322 | 0.89 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5506307 | 0.89 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5504460 | 0.87 | TDP1 (0.44) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5500862 | 0.86 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5500853 | 0.86 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5505726 | 0.85 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5505742 | 0.85 | CA5A (0.49) | TDP1MAPTHSD17B10CYP3A4LMNA | |
| SCHEMBL5507031 | 0.85 | TDP1 (0.47) | TDP1MAPTHSD17B10CYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0841339-B1 | Vinylpyrrolidinon cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2007-02-21 | — | — | EP | disclosed |
| US-6294668-B1 | ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA | HOFFMAN-LA ROCHE INC. | 2001-09-25 | — | — | US | disclosed |
| EP-0841339-A1 | Vinylpyrrolidinon cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-05-13 | — | — | EP | disclosed |