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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31200186 | 0.96 | VCAM1 (0.47) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL57107 | 0.96 | VCAM1 (0.47) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL4614436 | 0.89 | VCAM1 (0.47) | VCAM1MAPTALDH1A1TDP1ATM | |
| Alcohol SCHEMBL28027621 | 0.87 | TDP1 (0.42) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL458453 | 0.81 | VCAM1 (0.44) | VCAM1MAPTALDH1A1TDP1HTT | |
| SCHEMBL19175062 | 0.81 | VCAM1 (0.44) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL1725293 | 0.81 | VCAM1 (0.51) | VCAM1MAPTALDH1A1TDP1HTT | |
| SCHEMBL2870229 | 0.81 | VCAM1 (0.44) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL17304026 | 0.81 | GRIA1 (0.45) | VCAM1MAPTALDH1A1TDP1ATM | |
| SCHEMBL1291838 | 0.81 | VCAM1 (0.51) | VCAM1MAPTALDH1A1TDP1ATM |
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-1742921-A2 | PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005103010-A2 | PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2005-11-03 | — | — | WO | disclosed |