Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28124047 | 0.89 | HDAC3 (0.49) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28124056 | 0.88 | PHGDH (0.55) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28124044 | 0.84 | MAPT (0.62) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28124041 | 0.84 | HDAC3 (0.50) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28123455 | 0.84 | HDAC3 (0.52) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28838803 | 0.82 | TSHR (0.58) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28124059 | 0.81 | AR (0.48) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL28123446 | 0.80 | HDAC3 (0.50) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28123527 | 0.78 | KDM4E (0.57) | PHGDHHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28839066 | 0.78 | MEN1 (0.63) | PHGDHHDAC3HDAC4HDAC1HDAC2 |
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 |