Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ACSS2 | Q9NR19 | 2/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL29149793 | 1.00 | PKM (0.39) | PKMALDH1A1MAPK1ACSS2GPR119 | |
| SCHEMBL30680670 | 1.00 | PKM (0.39) | PKMALDH1A1MAPK1ACSS2GPR119 | |
| SCHEMBL30680774 | 1.00 | PKM (0.39) | PKMALDH1A1MAPK1ACSS2GPR119 | |
| SCHEMBL29149806 | 0.92 | GLP1R (0.40) | — | |
| SCHEMBL29149813 | 0.92 | GLP1R (0.40) | — | |
| SCHEMBL29924743 | 0.92 | GLP1R (0.40) | — | |
| SCHEMBL30680745 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPK1ACSS2MAPT | |
| SCHEMBL29150155 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPK1ACSS2MAPT | |
| SCHEMBL29150154 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPK1ACSS2MAPT | |
| SCHEMBL24266522 | 0.82 | RORC (0.46) | PKMALDH1A1MAPK1ACSS2MAPT |
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-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |