Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.74 |
| ▸ | ACHE | P22303 | 1/20 | 0.74 |
| ▸ | EGFR | P00533 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.65 |
| ▸ | CYP27A1 | Q02318 | 2/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.59 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.57 |
| ▸ | MIF | P14174 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.57 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096097 | 0.92 | EGFR (0.66) | BCHEACHEEGFRALDH1A1MAPT | |
| SCHEMBL28833618 | 0.82 | BCHE (0.74) | BCHEACHEALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL9619624 | 0.82 | ALDH1A1 (0.79) | ALDH1A1MAPTSMN1; SMN2MAPK1CYP26A1 | |
| SCHEMBL9619490 | 0.82 | NFE2L2 (0.71) | ALDH1A1MAPTSMN1; SMN2MAPK1CYP26A1 | |
| SCHEMBL28096393 | 0.81 | BCHE (0.61) | BCHEACHEEGFRALDH1A1MAPT | |
| SCHEMBL28096395 | 0.77 | MAPT (0.80) | BCHEACHEALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28096059 | 0.76 | CYP26A1 (0.67) | ALDH1A1MAPTSMN1; SMN2MAPK1CYP26A1 | |
| SCHEMBL17313263 | 0.75 | CYP26A1 (0.71) | ALDH1A1MAPTSMN1; SMN2MAPK1CYP26A1 | |
| SCHEMBL17313264 | 0.75 | CYP26A1 (0.71) | ALDH1A1MAPTSMN1; SMN2MAPK1CYP26A1 | |
| SCHEMBL6958968 | 0.75 | MIF (0.85) | BCHEACHEALDH1A1MAPTSMN1; SMN2 |
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 |