Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23530203 | 1.00 | MAPK1 (0.40) | MAPK1ALDH1A1KDM4ERETMAPT | |
| SCHEMBL28621555 | 0.77 | GRM5 (0.43) | MAPK1ALDH1A1RETMAPTGAA | |
| SCHEMBL12462577 | 0.76 | CA12 (0.45) | MAPK1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL31519203 | 0.75 | CSNK2A1 (0.39) | MAPK1ALDH1A1KDM4ERETCSNK2A1 | |
| SCHEMBL30375626 | 0.75 | MAPK1 (0.42) | MAPK1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL21873420 | 0.75 | MAPK1 (0.42) | MAPK1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL12462610 | 0.74 | CREBBP (0.40) | MAPK1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL16668453 | 0.74 | ALDH1A1 (0.37) | MAPK1ALDH1A1RETMAPTGAA | |
| SCHEMBL16668121 | 0.74 | ALDH1A1 (0.37) | MAPK1ALDH1A1RETMAPTGAA | |
| SCHEMBL2492111 | 0.72 | GAA (0.47) | ALDH1A1KDM4EMAPTGAAHSD17B10 |
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-114302886-B | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-117088885-A | Triazolopyridazine compound and application thereof | 上海赛默罗生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-114302886-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2022-04-08 | — | — | CN | disclosed |