Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6572516 | 0.98 | CYP3A4 (0.42) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL1578020 | 0.83 | TSHR (0.44) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL6571989 | 0.82 | ALDH1A1 (0.54) | CYP3A4TSHRALDH1A1ALOX15THRB | |
| Hydrochloric Acid SCHEMBL6574102 | 0.81 | CYP3A4 (0.45) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL6572248 | 0.80 | ALDH1A1 (0.52) | CYP3A4TSHRALDH1A1ALOX15THRB | |
| SCHEMBL6572927 | 0.79 | CYP3A4 (0.39) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL30839801 | 0.79 | CYP3A4 (0.46) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL30839737 | 0.79 | CYP3A4 (0.46) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL27185984 | 0.79 | CYP3A4 (0.46) | CYP3A4TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL7091233 | 0.79 | IDO1 (0.42) | CYP3A4TP53TSHRALDH1A1ALOX15 |
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-110088102-A | A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application | 罗欣药业(上海)有限公司 | 2019-08-02 | — | — | CN | disclosed |