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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | POLL | Q9UGP5 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL22466776 | 1.00 | ADRA2A (0.47) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL30436956 | 1.00 | ADRA2A (0.47) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL30436776 | 0.86 | ADRA2A (0.49) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL20480080 | 0.86 | ADRA2A (0.49) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL20482712 | 0.86 | ADRA2A (0.49) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL16534543 | 0.81 | ADRA2A (0.45) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL30436522 | 0.81 | ADRA2A (0.45) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL22491683 | 0.81 | ADRA2A (0.45) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| SCHEMBL21048281 | 0.77 | TSHR (0.43) | ADRA2AADRA1DADRA1AADRA1BTSHR | |
| Water SCHEMBL22491700 | 0.76 | TSHR (0.43) | ADRA2AADRA1DADRA1AADRA1BTSHR |
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-3717476-A1 | PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF | Orion Corporation (FI) | 2020-10-07 | — | — | EP | claimed |
| EP-3717476-A1 | PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF | Orion Corporation (FI) | 2020-10-07 | — | — | EP | disclosed |