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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.37 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | HPSE | Q9Y251 | 8/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL20515063 | 0.89 | HPSE (0.83) | HPSEMEN1KMT2AMAPTRXFP1 | |
| SCHEMBL20514939 | 0.89 | HPSE (0.78) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20514980 | 0.87 | HPSE (0.83) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20515043 | 0.85 | HPSE (0.92) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20514934 | 0.83 | HPSE (0.79) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20514950 | 0.82 | HPSE (0.75) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20514940 | 0.82 | HPSE (0.80) | HPSEMEN1KMT2AMAPTPOLB | |
| SCHEMBL20514941 | 0.80 | HPSE (0.81) | HPSEMEN1KMT2AMAPTNPSR1 | |
| SCHEMBL20514932 | 0.79 | HPSE (0.84) | HPSEMEN1KMT2AMAPTRXFP1 | |
| SCHEMBL20514961 | 0.79 | HPSE (0.79) | HPSEMEN1KMT2AMAPTPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3381897-A1 | DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER | Leadiant Biosciences SA (CH) | 2018-10-03 | — | — | EP | disclosed |