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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.45 |
| ▸ | DHFR known ✓ | P00374 | 4/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887797 | 0.97 | KDR (0.53) | KDRSMN1; SMN2NPSR1ALDH1A1CA12 | |
| SCHEMBL8401779 | 0.81 | DHFR (0.42) | SMN1; SMN2NPSR1ALDH1A1CA12CA1 | |
| SCHEMBL7887739 | 0.78 | PDE7A (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7100456 | 0.78 | DHFR (0.43) | SMN1; SMN2NPSR1ALDH1A1CA12CA1 | |
| SCHEMBL8401780 | 0.77 | DHFR (0.43) | SMN1; SMN2NPSR1ALDH1A1CA12CA1 | |
| SCHEMBL18029436 | 0.75 | TDP1 (0.63) | SMN1; SMN2NPSR1ALDH1A1CA12CA1 | |
| SCHEMBL7887669 | 0.74 | USP2 (0.48) | KDRSMN1; SMN2NPSR1ALDH1A1LMNA | |
| SCHEMBL7891889 | 0.69 | L3MBTL1 (0.62) | SMN1; SMN2NPSR1ALDH1A1POLBLMNA | |
| SCHEMBL7010831 | 0.69 | ALDH1A1 (0.42) | SMN1; SMN2NPSR1ALDH1A1CA12CA1 | |
| SCHEMBL7495037 | 0.69 | LMNA (0.48) | SMN1; SMN2ALDH1A1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0836602-A1 | FUNGICIDAL PYRIMIDINONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002262-A1 | FUNGICIDAL PYRIMIDINONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |