Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL601344 | 0.81 | ALDH1A1 (0.54) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL15929955 | 0.81 | TSHR (0.48) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL7899608 | 0.81 | TSHR (0.48) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL8938898 | 0.79 | ALDH1A1 (0.39) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL2733181 | 0.79 | MAOA (0.53) | TSHRALDH1A1RECQLKDM4EGAA | |
| Ammonia Solution, Strong SCHEMBL27509242 | 0.79 | ALDH1A1 (0.52) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL13793742 | 0.78 | TSHR (0.50) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL1847781 | 0.76 | — | — | |
| SCHEMBL13033160 | 0.75 | TSHR (0.42) | TSHRALDH1A1RECQLKDM4EGAA | |
| SCHEMBL13273086 | 0.75 | — | — |
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-105777749-A | Pyridopyrimidine compound and preparation method and application thereof | 中国药科大学 | 2016-07-20 | — | — | CN | disclosed |