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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.31 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8941099 | 0.94 | RECQL (0.48) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL8941018 | 0.92 | RECQL (0.52) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL8422675 | 0.92 | RECQL (0.52) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6129983 | 0.86 | RECQL (0.39) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL10703644 | 0.78 | RECQL (0.32) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL5251799 | 0.77 | — | — | |
| SCHEMBL10425429 | 0.76 | TP53 (0.33) | CA2CA1CA9 | |
| SCHEMBL9861007 | 0.75 | CA2 (0.38) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL1715468 | 0.74 | CA12 (0.43) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL5856122 | 0.73 | CA12 (0.42) | RECQLGLAHPGDTSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5580904-A | PENETRATE BLOOD-BRAIN BARRIER | DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) | 1996-12-03 | — | — | US | disclosed |
| EP-0614886-B1 | COMPOUND CAPABLE OF INTRACEREBRAL RESIDENCE AND USE THEREOF | DRUG DELIVERY SYSTEM INST LTD (JP) | 1996-10-16 | — | — | EP | disclosed |
| EP-0614886-A1 | COMPOUND CAPABLE OF INTRACEREBRAL RESIDENCE AND USE THEREOF | DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) | 1994-09-14 | — | — | EP | disclosed |