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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9150585 | 0.92 | MEN1 (0.46) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9147817 | 0.85 | NPSR1 (0.44) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9150494 | 0.85 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9151183 | 0.85 | ALDH1A1 (0.47) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9149286 | 0.84 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9148307 | 0.83 | NPSR1 (0.48) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL6436185 | 0.78 | MAPT (0.46) | MEN1KMT2AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL9150522 | 0.77 | CYP3A4 (0.41) | MEN1KMT2AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL9678088 | 0.76 | CYP3A4 (0.56) | MEN1KMT2AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL28727085 | 0.72 | KMT2A (0.41) | MEN1KMT2AALDH1A1CYP3A4CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5475024-A | Useful in treating liver disease | EISAI CO., LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| US-5292901-A | Benzodioxole derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0281098-B1 | BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS | Eisai Co., Ltd. (JP) | 1992-11-25 | — | — | EP | disclosed |
| US-5110956-A | Liver disorders | EISAI CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |
| CN-88101155-A | The preparation of benzo benzodioxole derivatives and application thereof | — | 1988-09-28 | — | — | CN | disclosed |
| EP-0281098-A1 | Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments | Eisai Co., Ltd. (JP) | 1988-09-07 | — | — | EP | disclosed |