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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 6/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100456 | 0.97 | DHFR (0.43) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL8401780 | 0.96 | DHFR (0.43) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL5712367 | 0.87 | ALDH1A1 (0.46) | DHFRALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL5712377 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7887739 | 0.82 | PDE7A (0.53) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL8725878 | 0.81 | KDR (0.51) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL7101435 | 0.79 | ADORA2B (0.41) | ALDH1A1KDM4EHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL8406726 | 0.78 | USP2 (0.45) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7887797 | 0.78 | KDR (0.53) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL8424278 | 0.77 | LMNA (0.43) | ALDH1A1KDM4EHPGDLMNASMN1; SMN2 |
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-0922037-A1 | PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1997048684-A1 | PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |