Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 2/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RNASEH1 | O60930 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29550450 | 0.91 | NPSR1 (0.40) | KDM4EL3MBTL1MAPK1NPSR1ALDH1A1 | |
| SCHEMBL23554560 | 0.91 | NPSR1 (0.40) | KDM4EL3MBTL1MAPK1NPSR1ALDH1A1 | |
| SCHEMBL23529950 | 0.85 | KDM4E (0.39) | KDM4EL3MBTL1ALDH1A1TSHRALOX15 | |
| SCHEMBL23554561 | 0.82 | S1PR4 (0.43) | KDM4EL3MBTL1NPSR1ALDH1A1HSD17B10 | |
| SCHEMBL23104533 | 0.81 | NPSR1 (0.39) | KDM4EL3MBTL1NPSR1ALDH1A1HSD17B10 | |
| SCHEMBL23530235 | 0.81 | KDM4E (0.47) | KDM4EL3MBTL1MAPK1NPSR1ALDH1A1 | |
| SCHEMBL28268048 | 0.78 | KDM4E (0.44) | KDM4EL3MBTL1MAPK1NPSR1ALDH1A1 | |
| SCHEMBL17377038 | 0.74 | L3MBTL1 (0.51) | KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15 | |
| SCHEMBL30565425 | 0.74 | L3MBTL1 (0.51) | KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15 | |
| SCHEMBL28569322 | 0.73 | KDM4E (0.53) | KDM4EL3MBTL1MAPK1NPSR1ALDH1A1 |
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-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 |
| CN-112979655-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2021-06-18 | — | — | CN | disclosed |