Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HASPIN | Q8TF76 | 5/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CCR4 | P51679 | 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 | |
|---|---|---|---|---|
| SCHEMBL29816060 | 1.00 | HASPIN (0.39) | HASPINDAPK3PLK1PLK3PLK2 | |
| SCHEMBL25096114 | 0.84 | TSHR (0.33) | MAPTALDH1A1 | |
| SCHEMBL29263397 | 0.77 | HASPIN (0.39) | HASPINDAPK3PLK1PLK3PLK2 | |
| SCHEMBL29816213 | 0.72 | GRIN2D (0.35) | MEN1KMT2A | |
| SCHEMBL29263390 | 0.72 | GRIN2D (0.35) | MEN1KMT2A | |
| SCHEMBL24988642 | 0.70 | PMM2 (0.34) | MAPTALDH1A1 | |
| SCHEMBL23950674 | 0.70 | TSHR (0.33) | MEN1KMT2AMAPTDCTPP1ALDH1A1 | |
| SCHEMBL23668579 | 0.69 | TSHR (0.38) | MEN1KMT2AMAPTDCTPP1ALDH1A1 | |
| SCHEMBL30077958 | 0.69 | TSHR (0.38) | MEN1KMT2AMAPTDCTPP1ALDH1A1 | |
| SCHEMBL20702413 | 0.69 | PIN1 (0.39) | HASPINDAPK3PLK1PLK3PLK2 |
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-116829557-A | Pentaheterocycle compound, preparation method and application thereof | 上海艾力斯医药科技股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2022161489-A1 | PENTAHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2022-08-04 | — | — | WO | disclosed |