Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27602894 | 1.00 | TSHR (0.39) | TSHRALDH1A1CYP3A4NAAATDP1 | |
| SCHEMBL1766421 | 0.97 | — | — | |
| SCHEMBL611233 | 0.90 | — | — | |
| SCHEMBL27576717 | 0.89 | NAAA (0.53) | TSHRALDH1A1NAAAHCAR2EPHX1 | |
| SCHEMBL27592545 | 0.89 | NAAA (0.53) | TSHRALDH1A1NAAAHCAR2EPHX1 | |
| SCHEMBL2513161 | 0.87 | TSHR (0.48) | TSHRALDH1A1CYP3A4NAAATDP1 | |
| SCHEMBL8507336 | 0.87 | TSHR (0.48) | TSHRALDH1A1CYP3A4NAAATDP1 | |
| SCHEMBL8505895 | 0.87 | TSHR (0.48) | TSHRALDH1A1CYP3A4NAAATDP1 | |
| SCHEMBL8508151 | 0.87 | TSHR (0.48) | TSHRALDH1A1CYP3A4NAAATDP1 | |
| SCHEMBL8505503 | 0.87 | TSHR (0.48) | TSHRALDH1A1CYP3A4NAAATDP1 |
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-110709393-A | Inhibitors of LDHA activity | 阿克蒂克制药股份有限公司 | 2020-01-17 | — | — | CN | disclosed |