Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 4/20 | 0.36 |
| ▸ | ABL1 | P00519 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23530232 | 1.00 | EGFR (0.39) | EGFRHCAR1CNR2MAP3K5HPGDS | |
| SCHEMBL23530035 | 0.93 | HCAR1 (0.45) | EGFRHCAR1ALDH1A1TP53 | |
| SCHEMBL29549887 | 0.93 | HCAR1 (0.45) | EGFRHCAR1ALDH1A1TP53 | |
| SCHEMBL23554637 | 0.82 | EGFR (0.39) | EGFRCNR2MAP3K5HPGDSHTR3A | |
| SCHEMBL23530206 | 0.76 | IRAK4 (0.47) | — | |
| SCHEMBL23529971 | 0.76 | HCAR1 (0.40) | EGFRHCAR1CNR2ABL1LRRK2 | |
| SCHEMBL29549814 | 0.74 | ALDH1A1 (0.41) | EGFRHCAR1ALDH1A1TP53LRRK2 | |
| SCHEMBL23529902 | 0.74 | ALDH1A1 (0.41) | EGFRHCAR1ALDH1A1TP53LRRK2 | |
| SCHEMBL23529998 | 0.74 | PIM2 (0.38) | CNR2ALDH1A1 | |
| SCHEMBL29549902 | 0.74 | PIM2 (0.38) | CNR2ALDH1A1 |
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-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 |