Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | GLA | P06280 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28013253 | 0.84 | RIPK1 (0.49) | ALDH1A1RIPK1GAAKDM4EMAPT | |
| Quinoline SCHEMBL28823560 | 0.84 | ALDH1A1 (0.38) | ALDH1A1GAAKDM4EMAPTHPGD | |
| Quinoline SCHEMBL28819048 | 0.82 | ALDH1A1 (0.44) | ALDH1A1RIPK1KDM4EMAPTMEN1 | |
| Quinoline SCHEMBL28040530 | 0.80 | ALDH1A1 (0.37) | ALDH1A1GAAKDM4EMAPTGLA | |
| SCHEMBL17009210 | 0.77 | POLB (0.50) | ALDH1A1RIPK1GAAHPGDMEN1 | |
| Quinoline SCHEMBL28013256 | 0.76 | ALDH1A1 (0.52) | ALDH1A1RIPK1GAAKDM4EMAPT | |
| Quinoline SCHEMBL29290742 | 0.76 | CYP2C19 (0.40) | ALDH1A1GAAKDM4EMAPTHPGD | |
| Quinoline SCHEMBL29290748 | 0.76 | POLB (0.46) | ALDH1A1GAAKDM4EMAPTMEN1 | |
| Quinoline SCHEMBL28013837 | 0.74 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4EMAPTHPGD | |
| Quinoline SCHEMBL28013231 | 0.74 | ALDH1A1 (0.61) | ALDH1A1GAAKDM4EMAPTMEN1 |
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-105175392-B | A kind of carboxylic acid compound containing thiophene-structure and amide compound containing thiophene-structure and preparation method thereof | 湖南大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-105175392-A | Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds | UNIV HUNAN | 2015-12-23 | — | — | CN | disclosed |