Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.66 |
| ▸ | BCHE | P06276 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.55 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096102 | 0.92 | BCHE (0.74) | EGFRBCHEACHEALDH1A1MAPT | |
| SCHEMBL28096393 | 0.83 | BCHE (0.61) | EGFRBCHEACHEALDH1A1MAPT | |
| SCHEMBL28095988 | 0.82 | BCHE (0.64) | EGFRBCHEACHEALDH1A1MAPT | |
| SCHEMBL28096418 | 0.76 | MAOA (0.68) | ALDH1A1MAPTSMN1; SMN2MAOBCYP19A1 | |
| SCHEMBL28096395 | 0.76 | MAPT (0.80) | BCHEACHEALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL3502646 | 0.76 | MAOB (0.85) | ACHEALDH1A1MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL13254636 | 0.76 | MAOB (0.85) | ACHEALDH1A1MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL28833618 | 0.74 | BCHE (0.74) | BCHEACHEALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5692075 | 0.74 | ALDH1A1 (0.75) | ALDH1A1MAPTSMN1; SMN2MAPK1MAOB | |
| SCHEMBL5691865 | 0.74 | NFE2L2 (0.67) | ALDH1A1MAPTSMN1; SMN2MAPK1MAOB |
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-106278857-A | α, β unsaturated carbonyl tetralone derivative and application thereof | 武汉理工大学 | 2017-01-04 | — | — | CN | claimed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | claimed |
| CN-106278857-A | α, β unsaturated carbonyl tetralone derivative and application thereof | 武汉理工大学 | 2017-01-04 | — | — | CN | disclosed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | disclosed |