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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.51 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 11/20 | 0.65 |
| ▸ | MAPT | P10636 | 9/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.65 |
| ▸ | APEX1 | P27695 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | POLB | P06746 | 3/20 | 0.65 |
| ▸ | BLM | P54132 | 3/20 | 0.65 |
| ▸ | PKM | P14618 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL10988471 | 1.00 | TDP1 (0.65) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL10981949 | 0.93 | TDP1 (0.66) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL10981961 | 0.93 | TDP1 (0.66) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL10983862 | 0.89 | TDP1 (0.69) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL10983851 | 0.89 | TDP1 (0.69) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL5972698 | 0.87 | TDP1 (0.64) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| Water SCHEMBL11260612 | 0.87 | TDP1 (0.62) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| Water SCHEMBL11260617 | 0.87 | TDP1 (0.62) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL11364574 | 0.83 | TDP1 (0.61) | TDP1MAPTHSD17B10CYP3A4APEX1 | |
| SCHEMBL11364577 | 0.83 | TDP1 (0.61) | TDP1MAPTHSD17B10CYP3A4APEX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4517361-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-05-14 | — | — | US | disclosed |
| US-4421912-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-12-20 | — | — | US | disclosed |
| US-4379924-A | Cephalosporin derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-04-12 | — | — | US | disclosed |
| US-4080498-A | ANTIBIOTICS, BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1978-03-21 | — | — | US | disclosed |