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 | |
|---|---|---|---|---|
| ▸ | FGF1 known ✓ | P05230 | 1/20 | 0.39 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.38 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.38 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.38 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 10/20 | 0.90 |
| ▸ | RECQL | P46063 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.40 |
| ▸ | APEX1 | P27695 | 4/20 | 0.40 |
| ▸ | BLM | P54132 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20514938 | 0.94 | HPSE (0.91) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514986 | 0.93 | HPSE (0.92) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514919 | 0.90 | HPSE (0.91) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20515043 | 0.90 | HPSE (0.92) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514967 | 0.87 | HPSE (0.78) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514932 | 0.86 | HPSE (0.84) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL8332931 | 0.86 | HPSE (0.66) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL8337170 | 0.86 | HPSE (0.66) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514980 | 0.86 | HPSE (0.83) | HPSERECQLKMT2AHSD17B10TDP1 | |
| SCHEMBL20514936 | 0.86 | HPSE (0.77) | HPSERECQLKMT2AHSD17B10TDP1 |
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 |