Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 2/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 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 | |
|---|---|---|---|---|
| SCHEMBL16826054 | 0.75 | DHFR (0.37) | HRH3EPHX2TNKSPARP1TNKS2 | |
| SCHEMBL28144828 | 0.74 | KDM4E (0.56) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL11891933 | 0.71 | HRH3 (0.52) | ALDH1A1HRH3EPHX2MAPT | |
| SCHEMBL28145823 | 0.70 | KDM4E (0.53) | ALDH1A1TSHRKMT2AMEN1MAPT | |
| SCHEMBL2097149 | 0.70 | HRH3 (0.46) | HRH3EPHX2GALR3NR2F2CYP11B1 | |
| SCHEMBL10701848 | 0.70 | HRH3 (0.46) | ALDH1A1HRH3EPHX2CYP11B1CYP11B2 | |
| SCHEMBL593755 | 0.70 | LMNA (0.50) | ALDH1A1HRH3EPHX2CYP11B1CYP11B2 | |
| SCHEMBL28145836 | 0.70 | PRMT6 (0.47) | ALDH1A1TNKSPARP1TNKS2TSHR | |
| SCHEMBL28145812 | 0.70 | KDM4E (0.58) | KMT2AMEN1MAPK1MAPT | |
| SCHEMBL28145820 | 0.70 | LMNA (0.51) | ALDH1A1TSHRHTTKMT2AMEN1 |
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-106659715-A | substituted aminotriazoles and methods of use thereof | 药物发现研究所 | 2017-05-10 | — | — | CN | claimed |
| CN-106659715-A | substituted aminotriazoles and methods of use thereof | 药物发现研究所 | 2017-05-10 | — | — | CN | disclosed |