Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | ATR | Q13535 | 1/20 | 0.50 |
| ▸ | PHGDH | O43175 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28124048 | 0.89 | HDAC6 (0.60) | ALDH1A1LMNAKDM4EAURKARPS6KB1 | |
| SCHEMBL28123456 | 0.88 | MAPT (0.61) | ALDH1A1LMNAKDM4EAURKASMN1; SMN2 | |
| SCHEMBL28123453 | 0.88 | LMNA (0.54) | ALDH1A1LMNAKDM4EAURKASMN1; SMN2 | |
| SCHEMBL28123525 | 0.88 | MEN1 (0.48) | ALDH1A1LMNAKDM4EAURKARPS6KB1 | |
| SCHEMBL28123448 | 0.82 | SMN1; SMN2 (0.56) | ALDH1A1LMNAKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL28838809 | 0.80 | HDAC6 (0.58) | SMN1; SMN2NPSR1HDAC6MAPTMEN1 | |
| SCHEMBL28838815 | 0.78 | HDAC6 (0.58) | ALDH1A1SMN1; SMN2NPSR1HDAC6MAPT | |
| SCHEMBL28123442 | 0.78 | HDAC6 (0.58) | NPSR1HDAC6MAPTMEN1KMT2A | |
| SCHEMBL28013927 | 0.78 | SMN1; SMN2 (0.55) | ALDH1A1KDM4ESMN1; SMN2TDP1HDAC6 | |
| SCHEMBL28838799 | 0.78 | HDAC6 (0.55) | ALDH1A1LMNAKDM4ESMN1; SMN2HDAC6 |
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-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | claimed |
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | disclosed |