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 | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 5/20 | 0.42 |
| ▸ | METAP2 | P50579 | 3/20 | 0.40 |
| ▸ | METAP1 | P53582 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 2/20 | 0.38 |
| ▸ | CPA1 | P15085 | 2/20 | 0.37 |
| ▸ | CPA2 | P48052 | 2/20 | 0.37 |
| ▸ | CPA4 | Q9UI42 | 2/20 | 0.37 |
| ▸ | CPB1 | P15086 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.36 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.36 |
| ▸ | PSMD12 | O00232 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | PSMA7 | O14818 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6559289 | 0.90 | METAP2 (0.41) | RENMETAP2METAP1ALDH1A1MMP9 | |
| SCHEMBL6559351 | 0.82 | METAP2 (0.45) | METAP2METAP1MMP9MMP8MMP14 | |
| SCHEMBL6558594 | 0.81 | METAP2 (0.45) | RENMETAP2METAP1MMP9MMP8 | |
| SCHEMBL6559229 | 0.81 | METAP2 (0.45) | METAP2METAP1MMP9MMP8MMP14 | |
| Hydrochloric Acid SCHEMBL6559256 | 0.81 | METAP2 (0.45) | METAP2METAP1MMP9MMP8MMP14 | |
| SCHEMBL6559318 | 0.81 | METAP2 (0.42) | RENMETAP2METAP1ALDH1A1MMP9 | |
| SCHEMBL6558591 | 0.81 | METAP2 (0.45) | RENMETAP2METAP1MMP9MMP8 | |
| SCHEMBL6559898 | 0.81 | BACE1 (0.41) | METAP2METAP1MMP9MMP8MMP14 | |
| SCHEMBL6560459 | 0.80 | METAP2 (0.40) | RENMETAP2METAP1ALDH1A1MMP9 | |
| SCHEMBL6558913 | 0.80 | MME (0.42) | RENMETAP2METAP1ALDH1A1MMP9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998488-B1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6423869-B1 | BACTERICIDES, ANTIULCER AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-07-23 | — | — | US | disclosed |