Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | SOAT1 | P35610 | 5/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL28257821 | 0.96 | ALDH1A1 (0.71) | MAPK1ALDH1A1SOAT1PTPN1MAPT | |
| Propane SCHEMBL28257714 | 0.89 | ALDH1A1 (0.81) | MAPK1ALDH1A1MAPTTP53NFKB1 | |
| SCHEMBL28075905 | 0.88 | ALDH1A1 (0.55) | MAPK1ALDH1A1SOAT1PTPN1MAPT | |
| Ethane SCHEMBL27598501 | 0.84 | ALDH1A1 (0.90) | MAPK1ALDH1A1MAPTTP53NFKB1 | |
| SCHEMBL115115 | 0.84 | ALDH1A1 (1.00) | MAPK1ALDH1A1MAPTTP53NFKB1 | |
| SCHEMBL30451936 | 0.84 | ALDH1A1 (1.00) | MAPK1ALDH1A1MAPTTP53NFKB1 | |
| SCHEMBL7466244 | 0.83 | HSD11B1 (0.50) | MAPK1ALDH1A1MAPTTP53TSHR | |
| SCHEMBL5672731 | 0.82 | SOAT1 (0.54) | SOAT1PTPN1 | |
| Methyl Alcohol SCHEMBL28052941 | 0.82 | ALDH1A1 (0.85) | MAPK1ALDH1A1MAPTTP53NFKB1 | |
| Hydrochloric Acid SCHEMBL28530945 | 0.82 | ALDH1A1 (0.94) | MAPK1ALDH1A1MAPTTP53NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109096188-A | Compound containing 4- (p-phenylethynyl) -1, 8-naphthalic anhydride, preparation method and application thereof | 大连理工大学 | 2018-12-28 | — | — | CN | claimed |
| CN-109096188-A | Compound containing 4- (p-phenylethynyl) -1, 8-naphthalic anhydride, preparation method and application thereof | 大连理工大学 | 2018-12-28 | — | — | CN | disclosed |