Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23530212 | 1.00 | TDP1 (0.40) | TDP1PDE4BPDE4DPDE4AMAPT | |
| SCHEMBL22042632 | 0.73 | RXRA (0.35) | PDE4BPDE4DPDE4AMAPTNPC1 | |
| SCHEMBL29549876 | 0.71 | ALDH1A1 (0.45) | TDP1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL23554633 | 0.71 | TDP1 (0.44) | TDP1RAB9ALMNA | |
| SCHEMBL29549875 | 0.71 | ALDH1A1 (0.45) | TDP1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL22042661 | 0.69 | SMN1; SMN2 (0.33) | PDE4BPDE4DPDE4AMAPTNPC1 | |
| SCHEMBL31092688 | 0.69 | SMN1; SMN2 (0.33) | PDE4BPDE4DPDE4AMAPTNPC1 | |
| SCHEMBL25192447 | 0.68 | TRPV4 (0.30) | — | |
| SCHEMBL29739284 | 0.68 | GRIN2B (0.38) | PDE4DMAPTNPC1NFKB1RAB9A | |
| SCHEMBL22971159 | 0.67 | TDP1 (0.44) | TDP1 |
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 |