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 | 0.70 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 10/20 | 0.65 |
| ▸ | MAPT | P10636 | 10/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | APEX1 | P27695 | 3/20 | 0.65 |
| ▸ | POLB | P06746 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | BLM | P54132 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444104 | 1.00 | PTGS1 (0.70) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11393467 | 0.93 | TDP1 (0.63) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11215612 | 0.92 | PTGS1 (0.82) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL8883027 | 0.92 | PTGS1 (0.82) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11690164 | 0.89 | PTGS1 (0.69) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11243991 | 0.88 | TDP1 (0.62) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11879476 | 0.88 | TDP1 (0.67) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11228661 | 0.87 | TDP1 (0.67) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11856810 | 0.87 | PTGS1 (0.64) | PTGS1TDP1MAPTHSD17B10CYP3A4 | |
| SCHEMBL11698766 | 0.86 | PTGS1 (0.61) | PTGS1TDP1MAPTHSD17B10CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000285-B1 | 7-ACYLAMINO-3-((3-(CARBOXYMETHYL) THIO-1 H-1,2,4-TRIAZOL-5-YL) THIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1982-02-17 | — | — | EP | disclosed |
| US-4174324-A | 3-(Carboxymethyl)thio-1H-1,2,4-triazol-5-thione | SMITHKLINE CORPORATION (US) | 1979-11-13 | — | — | US | disclosed |
| EP-0000285-A1 | 7-Acylamino-3-((3-(carboxymethyl) thio-1 H-1,2,4-triazol-5-yl) thiomethyl)-3-cephem-4-carboxylic acid derivatives, processes for their preparation and compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1979-01-10 | — | — | EP | disclosed |
| US-4117124-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |
| US-4008227-A | ANTIBIOTIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-02-15 | — | — | US | disclosed |