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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.43 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.47 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9513101 | 1.00 | SMPD1 (0.47) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9515434 | 1.00 | SMPD1 (0.47) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9513056 | 0.88 | PLA2G2D (0.58) | PLA2G2DALDH1A1HPGDPTPN11TP53 | |
| SCHEMBL9515491 | 0.88 | PLA2G2D (0.58) | PLA2G2DALDH1A1HPGDPTPN11TP53 | |
| SCHEMBL9514125 | 0.88 | PLA2G2D (0.58) | PLA2G2DALDH1A1HPGDPTPN11TP53 | |
| SCHEMBL9515443 | 0.87 | PLA2G2D (0.57) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9513108 | 0.87 | PLA2G2D (0.57) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9516447 | 0.87 | PLA2G2D (0.57) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9513086 | 0.87 | SMPD1 (0.49) | SMPD1PLA2G2DALDH1A1HPGDPTPN11 | |
| SCHEMBL9516481 | 0.85 | NPC1 (0.53) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308977-B1 | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5003055-A | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1991-03-26 | — | — | US | disclosed |
| EP-0308977-A2 | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1989-03-29 | — | — | EP | disclosed |