Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isoppads. 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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.63 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.63 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.63 |
| ▸ | P2RY1 known ✓ | P47900 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 7/20 | 0.86 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.86 |
| ▸ | P2RY13 | Q9BPV8 | 4/20 | 0.86 |
| ▸ | THPO | P40225 | 2/20 | 0.86 |
| ▸ | TSHR | P16473 | 1/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.69 |
| ▸ | HPGD | P15428 | 4/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.69 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.69 |
| ▸ | POLB | P06746 | 3/20 | 0.63 |
| ▸ | APEX1 | P27695 | 3/20 | 0.63 |
| ▸ | BLM | P54132 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7196936 | 0.93 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL30176649 | 0.93 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| Water SCHEMBL30904755 | 0.92 | MAPT (0.98) | MAPTTDP1P2RY13THPOTSHR | |
| Isoppads SCHEMBL29494952 | 0.82 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| Isoppads SCHEMBL14702227 | 0.82 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL29381820 | 0.78 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL13624677 | 0.76 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL7196945 | 0.76 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL31236767 | 0.76 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR | |
| SCHEMBL29357199 | 0.76 | MAPT (1.00) | MAPTTDP1P2RY13THPOTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025229484-A1 | PURINERGIC P2 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CONGENITAL SIDEROBLASTIC ANEMIAS | UNIVERSITÀ DEGLI STUDI DI BARI ALDO MORO (IT) | 2025-11-06 | — | — | WO | disclosed |