Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28563324 | 0.81 | SMN1; SMN2 (0.47) | RAB9ANPC1ADORA3ADORA2AALDH1A1 | |
| SCHEMBL5867451 | 0.75 | CCNA2 (0.49) | RAB9ANPC1HDAC1HDAC6ADORA3 | |
| SCHEMBL14108088 | 0.73 | JAK2 (0.52) | RAB9ANPC1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL5008289 | 0.73 | CCNA2 (0.51) | RAB9ANPC1ADORA3ADORA2AADORA1 | |
| SCHEMBL14019191 | 0.71 | MAPK1 (0.50) | RAB9ANPC1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL28568338 | 0.71 | MAPT (0.49) | ALDH1A1SMN1; SMN2TP53MEN1MAPT | |
| SCHEMBL30683712 | 0.71 | SMN1; SMN2 (0.57) | RAB9ANPC1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL15359833 | 0.71 | NPC1 (0.51) | RAB9ANPC1HDAC1HDAC6MEN1 | |
| SCHEMBL13777922 | 0.70 | CCNA2 (0.78) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL5867785 | 0.70 | CCNA2 (0.48) | RAB9ANPC1ALDH1A1SMN1; SMN2MEN1 |
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-111423377-B | 5-amino-1H-pyrazole derivative, preparation method and medical application | 中国药科大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-111423377-A | 5-amino-1H-pyrazole derivative, preparation method and medical application | 中国药科大学 | 2020-07-17 | — | — | CN | disclosed |