Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Psoralen. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.96 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 6/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.96 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.96 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.96 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Psoralen SCHEMBL17835 | 0.98 | MAOA (1.00) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL29503678 | 0.98 | MAOA (1.00) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL2684633 | 0.98 | MAOA (1.00) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL28036058 | 0.96 | MAOA (0.96) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL3647286 | 0.96 | MAOA (0.96) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL8707426 | 0.96 | MAOA (0.96) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL27405230 | 0.96 | MAOA (0.96) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| SCHEMBL11458294 | 0.92 | HSD17B10 (0.89) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL4264885 | 0.91 | MAOA (0.86) | MAOACYP3A4ACHEKDM4EHSD17B10 | |
| Psoralen SCHEMBL4376218 | 0.91 | MAOA (0.86) | MAOACYP3A4ACHEKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117442606-A | Application of psoralen and its derivatives in preparing medicine for preventing and treating calculus accompanied with renal cell death, inflammation and fibrosis | 南方医科大学 | 2024-01-26 | — | — | CN | disclosed |