Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17593153 | 0.88 | SMN1; SMN2 (0.56) | SMN1; SMN2TDP1ALDH1A1MAPTPOLB | |
| SCHEMBL28013927 | 0.87 | SMN1; SMN2 (0.55) | SMN1; SMN2TDP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28013853 | 0.87 | HDAC6 (0.60) | SMN1; SMN2TDP1KMT2APOLBHDAC6 | |
| SCHEMBL28014537 | 0.87 | HDAC6 (0.46) | SMN1; SMN2TDP1ALDH1A1MAPTKMT2A | |
| SCHEMBL14152218 | 0.84 | PHGDH (0.46) | SMN1; SMN2TDP1KDM4EALDH1A1MAPT | |
| SCHEMBL4692309 | 0.84 | PPARG (0.54) | SMN1; SMN2TDP1MAPTKMT2APOLB | |
| SCHEMBL28013857 | 0.84 | MARS1 (0.45) | SMN1; SMN2TDP1ALDH1A1MAPTPOLB | |
| SCHEMBL4678362 | 0.83 | HDAC6 (0.46) | SMN1; SMN2TDP1ALDH1A1POLBHDAC6 | |
| SCHEMBL28124050 | 0.82 | ALDH1A1 (0.62) | SMN1; SMN2TDP1KDM4EALDH1A1MAPT | |
| SCHEMBL3436591 | 0.81 | MARS1 (0.47) | SMN1; SMN2TDP1KMT2APOLBHDAC6 |
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 3 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 |
| CN-104592116-A | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | UNIV SHANDONG | 2015-05-06 | — | — | CN | disclosed |