Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9278165 | 0.88 | MAPT (0.38) | ALDH1A1L3MBTL1HPGDKDM4EHRH2 | |
| SCHEMBL3306197 | 0.80 | — | — | |
| SCHEMBL11531912 | 0.78 | ALDH1A1 (0.35) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5316774 | 0.74 | HSD11B1 (0.31) | ALDH1A1HPGD | |
| SCHEMBL11046596 | 0.73 | GSK3A (0.40) | ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL11142350 | 0.73 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL11789421 | 0.72 | DRD2 (0.30) | — | |
| SCHEMBL11440182 | 0.70 | DRD2 (0.38) | — | |
| SCHEMBL23047083 | 0.70 | — | — | |
| SCHEMBL4674255 | 0.70 | — | — |
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-105712931-A | 7-phenyl-5-oxo-4-substituted-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester and non-catalyzed synthesis method thereof | 山东师范大学 | 2016-06-29 | — | — | CN | claimed |