Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27817569 | 0.74 | KCNN4 (0.60) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| SCHEMBL29398623 | 0.73 | FABP5 (0.51) | KCNN4 | |
| SCHEMBL2232682 | 0.73 | KCNN4 (0.46) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| Methyl Alcohol SCHEMBL28055818 | 0.73 | KCNN4 (0.58) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| SCHEMBL1647761 | 0.72 | KCNN4 (0.62) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| Acetic Acid SCHEMBL29152871 | 0.71 | KCNN4 (0.56) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| Acetic Acid SCHEMBL27305466 | 0.69 | KCNN4 (0.58) | KCNN4CHRM3ALDH1A1CHRM2CHRM4 | |
| SCHEMBL705717 | 0.69 | KCNN4 (0.63) | KCNN4CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL7587514 | 0.68 | KCNN4 (0.68) | KCNN4ALDH1A1NPSR1 | |
| SCHEMBL751119 | 0.68 | CYP3A4 (0.53) | KCNN4ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890806-A | Compound and its application as isocitric dehydrogenase inhibitor | 南京圣和药业股份有限公司 | 2019-06-14 | — | — | CN | disclosed |