Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzophenone. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.52 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CNR2 | P34972 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Benzophenone SCHEMBL29065284 | 0.88 | ALDH1A1 (0.61) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL8930504 | 0.87 | ALDH1A1 (0.65) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL5874527 | 0.87 | ALDH1A1 (0.65) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL372690 | 0.86 | ALDH1A1 (0.77) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL5283313 | 0.86 | ALDH1A1 (0.77) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL5874493 | 0.86 | ALDH1A1 (0.77) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL28118663 | 0.85 | ALDH1A1 (0.68) | ALDH1A1PABPC1KMT2AMEN1CYP3A4 | |
| SCHEMBL7101680 | 0.84 | KMT2A (0.51) | ALDH1A1CNR2PABPC1KMT2AMEN1 | |
| Quinoline SCHEMBL5272119 | 0.84 | ALDH1A1 (0.74) | ALDH1A1PABPC1KMT2AMEN1CYP3A4 | |
| Quinoline SCHEMBL2201840 | 0.84 | ALDH1A1 (0.74) | ALDH1A1PABPC1KMT2AMEN1CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105130900-B | Antifungal pyrazoles | 纳幕尔杜邦公司 | 2018-05-22 | — | — | CN | disclosed |
| CN-104603128-B | Antifungal heterocycle carbonyl acid amides | 杜邦公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-103079406-B | fungicidal pyrazoles | E. I. DU PONT DE NEMOURS AND CO. (US) | 2016-03-30 | — | — | CN | disclosed |
| CN-105130900-A | Fungicidal pyrazoles | DU PONT | 2015-12-09 | — | — | CN | disclosed |
| CN-104603128-A | Fungicidal heterocyclic carboxamides | DU PONT | 2015-05-06 | — | — | CN | disclosed |
| CN-104583207-A | Fungicidal heterocyclic compounds | DU PONT | 2015-04-29 | — | — | CN | disclosed |
| CN-104540808-A | Fungicidal 4-methylphenylaminopyrazoles | DU PONT | 2015-04-22 | — | — | CN | disclosed |
| CN-102933577-B | Fungicidal oximes and hydrazones | DU PONT | 2014-08-06 | — | — | CN | disclosed |
| CN-103384470-A | Fungicidal azocyclic amides | DU PONT | 2013-11-06 | — | — | CN | disclosed |
| CN-103153962-A | Fungicidal imidazoles | DU PONT | 2013-06-12 | — | — | CN | disclosed |
| CN-103079406-A | Fungicidal pyrazoles | DU PONT | 2013-05-01 | — | — | CN | disclosed |
| CN-102933577-A | Fungicidal oximes and hydrazones | DU PONT | 2013-02-13 | — | — | CN | disclosed |