Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methoxsalen. 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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.66 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.66 |
| ▸ | MAOA | P21397 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 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 | |
|---|---|---|---|---|
| Methoxsalen SCHEMBL9387169 | 0.83 | CYP3A4 (0.86) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL19168 | 0.81 | CYP3A4 (1.00) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL29376525 | 0.81 | CYP3A4 (1.00) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL2302069 | 0.81 | CYP3A4 (1.00) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL6142553 | 0.80 | CYP3A4 (0.97) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL10572509 | 0.74 | CYP3A4 (0.84) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Methoxsalen SCHEMBL598765 | 0.73 | CYP3A4 (0.82) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| SCHEMBL8806449 | 0.70 | CYP3A4 (0.71) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Bergapten SCHEMBL9792363 | 0.70 | CYP3A4 (0.74) | CYP3A4MAOACYP1A2CYP2A6CYP2D6 | |
| Chloramine-T Anhydrous SCHEMBL19335 | 0.68 | GAA (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000482-A1 | Process for the preparation of 8-methoxypsorales and intermediates in this preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-02-07 | — | — | EP | disclosed |