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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.48 |
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | USP2 | O75604 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | HBB | P68871 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | APP | P05067 | 6/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.52 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.52 |
| ▸ | FLT3 | P36888 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20535339 | 0.96 | MAPT (0.67) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL22459378 | 0.95 | MAPT (0.65) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL20534813 | 0.94 | MAPT (0.64) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL22812901 | 0.91 | MEN1 (0.64) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL22459584 | 0.86 | MAPT (0.77) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL22459984 | 0.85 | MAPT (0.61) | MAPTMEN1KMT2AUSP2TP53 | |
| Kayaflavone SCHEMBL27350697 | 0.85 | MEN1 (0.71) | MAPTMEN1KMT2AUSP2TP53 | |
| Kayaflavone SCHEMBL30646162 | 0.85 | MEN1 (0.71) | MAPTMEN1KMT2AUSP2TP53 | |
| SCHEMBL20534814 | 0.84 | MEN1 (0.54) | MAPTMEN1KMT2AUSP2TP53 | |
| Sciadopitisin SCHEMBL30996894 | 0.83 | MAPT (0.86) | MAPTMEN1KMT2AUSP2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110891944-B | Compounds, compositions and uses thereof for the treatment of cancer | 法国古士塔柏罗斯学院 | 2023-05-05 | — | — | CN | disclosed |
| CN-110891944-A | Compounds, compositions and uses thereof for the treatment of cancer | 法国古士塔柏罗斯学院 | 2020-03-17 | — | — | CN | disclosed |