Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL28271216 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1MAPTKMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28330963 | 0.80 | MEN1 (0.49) | ALDH1A1POLBMAPTKMT2ALMNA | |
| SCHEMBL28271219 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1MAPTKMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28878657 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1MAPTKMT2ALMNASMN1; SMN2 | |
| SCHEMBL28572914 | 0.75 | ALDH1A1 (0.47) | EGFRACHEALDH1A1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL29288161 | 0.73 | NFE2L2 (0.53) | ALDH1A1POLBMAPTKMT2ACRHBP | |
| SCHEMBL28096422 | 0.72 | EGFR (0.53) | EGFRBCHEACHEALDH1A1POLB | |
| SCHEMBL27909084 | 0.71 | MAPT (0.55) | ALDH1A1POLBMAPTKMT2ALMNA | |
| SCHEMBL28271227 | 0.71 | MAPT (0.55) | ALDH1A1POLBMAPTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL29288159 | 0.70 | MAPT (0.54) | ALDH1A1POLBMAPTKMT2ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083557-A | α, β unsaturation cyclohexanone derivative and application thereof | 武汉理工大学 | 2016-11-09 | — | — | CN | claimed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | claimed |
| CN-106083557-A | α, β unsaturation cyclohexanone derivative and application thereof | 武汉理工大学 | 2016-11-09 | — | — | CN | disclosed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | disclosed |