Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 18/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006561 | 0.90 | HTR3A (0.45) | HTR3AKCNH2CYP2C19HTR6 | |
| SCHEMBL1005127 | 0.88 | HTR3A (0.45) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL1005128 | 0.88 | HTR3A (0.45) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL8221837 | 0.78 | HTR3A (0.75) | HTR3AKCNH2CYP2C19 | |
| Hydrochloric Acid SCHEMBL1005651 | 0.78 | HTR3A (0.74) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL3984179 | 0.77 | HTR3A (0.35) | HTR3AKCNH2HTR6 | |
| Lithium Ion SCHEMBL1005141 | 0.75 | HTR3A (0.43) | HTR3AKCNH2HTR6 | |
| Lithium Ion SCHEMBL1004902 | 0.74 | HTR3A (0.64) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1003491 | 0.74 | HTR3A (0.64) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1006319 | 0.72 | HTR3A (0.61) | HTR3AKCNH2CYP2C19HTR6 |
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-2061460-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | Albany Molecular Research, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019372-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |