Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.35 |
| ▸ | PDE1A | P54750 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23529922 | 1.00 | PTGER4 (0.42) | PTGER4ALDH1A1PDE1BPDE1CPDE1A | |
| SCHEMBL26098592 | 0.91 | PTGER4 (0.39) | PTGER4ALDH1A1PDE1BPDE1CPDE1A | |
| SCHEMBL23530030 | 0.86 | CFTR (0.37) | PTGER4PDE1BPDE1CPDE1AKDM4E | |
| SCHEMBL23530036 | 0.83 | PTGER4 (0.37) | PTGER4ALDH1A1PDE1BPDE1CKDM4E | |
| SCHEMBL23554609 | 0.78 | PTGER4 (0.38) | PTGER4ALDH1A1PDE1BPDE1CPDE1A | |
| SCHEMBL30159511 | 0.76 | KDM4E (0.43) | ALDH1A1PDE1BPDE1CKDM4EMEN1 | |
| SCHEMBL23535820 | 0.76 | KDM4E (0.43) | ALDH1A1PDE1BPDE1CKDM4EMEN1 | |
| SCHEMBL29549597 | 0.76 | PTGER4 (0.55) | PTGER4ALDH1A1PDE1BPDE1CPDE1A | |
| SCHEMBL23529946 | 0.76 | PTGER4 (0.55) | PTGER4ALDH1A1PDE1BPDE1CPDE1A | |
| SCHEMBL29704418 | 0.75 | PTGER4 (0.40) | PTGER4ALDH1A1MAPK1HPGDHSD17B10 |
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 |