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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.34 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.34 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.37 |
| ▸ | MEN1 | O00255 | 6/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9344746 | 1.00 | MAPT (0.39) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9344729 | 0.90 | MAPT (0.46) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9344725 | 0.90 | MAPT (0.46) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9623442 | 0.90 | MAPT (0.46) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL11311721 | 0.88 | POLB (0.38) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL11311725 | 0.88 | MAPT (0.39) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL11311717 | 0.88 | POLB (0.38) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9465192 | 0.88 | MAPT (0.51) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9225986 | 0.88 | MAPT (0.51) | MAPTGAALMNAKMT2AMEN1 | |
| SCHEMBL9465185 | 0.88 | MAPT (0.51) | MAPTGAALMNAKMT2AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5336776-A | Cephalopsporin intermediates; Staphyloccus septicemia and skin disorders; penicillin-resistant gramnegative bacteria | ROUSSEL UCLAF (FR) | 1994-08-09 | — | — | US | disclosed |
| US-5103012-A | Chemical intermediate | ROUSSEL UCLAF (FR) | 1992-04-07 | — | — | US | disclosed |
| US-4988816-A | Chemical intermediates for cephalosporin antibiotics | ROUSSEL UCLAF (FR) | 1991-01-29 | — | — | US | disclosed |
| US-4843164-A | CEPHALOSPORIN INTERMEDIATE; ANTIBIOTIC | ROUSSEL UCLAF (FR) | 1989-06-27 | — | — | US | disclosed |
| US-4376203-A | ANTIBIOTIC | ROUSSELL UCLAF (FR) | 1983-03-08 | — | — | US | disclosed |
| US-4283396-A | 3-Acetoxymethyl-7-(hydroxyiminoacetamido)-cephalosporanic acid derivatives | ROUSSEL UCLAF (FR) | 1981-08-11 | — | — | US | disclosed |
| US-4196205-A | ANTIBIOTICS, BACTERICIDES | ROUSSEL UCLAF (FR) | 1980-04-01 | — | — | US | disclosed |
| US-4152432-A | ANTIBIOTICS | ROUSSEL UCLAF (FR) | 1979-05-01 | — | — | US | disclosed |