Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL29068571 | 0.88 | PTGS2 (0.42) | PTGS2PTGS1ALDH1A1LMNAHTT | |
| SCHEMBL156710 | 0.81 | GAA (0.46) | ALDH1A1CA12CA1CA9CA2 | |
| SCHEMBL28786199 | 0.81 | PTGS2 (0.35) | PTGS2PTGS1LRRK2ALDH1A1CA12 | |
| Ammonia Solution, Strong SCHEMBL28142625 | 0.80 | GAA (0.45) | ALDH1A1CA12CA1CA9CA2 | |
| SCHEMBL28602434 | 0.79 | PIK3CD (0.41) | LRRK2PIK3CDPIK3CBPIK3CGCA2 | |
| SCHEMBL23152484 | 0.78 | PARP10 (0.38) | PTGS2PTGS1LRRK2PIK3CDPIK3CB | |
| SCHEMBL28572114 | 0.78 | CA12 (0.46) | ALDH1A1CA12CA1CA9LMNA | |
| SCHEMBL29068596 | 0.77 | SLC1A3 (0.42) | PTGS2CA1CA2CYP1A2CYP3A4 | |
| SCHEMBL6262479 | 0.77 | PTGS2 (0.44) | PTGS2PTGS1LMNAHTT | |
| SCHEMBL28968110 | 0.77 | PTGS2 (0.42) | PTGS2PTGS1CA12CA1CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116745304-A | IP4-4,6 substituted derivative compounds | 萨尼菲特治疗有限公司 | 2023-09-12 | — | — | CN | disclosed |