Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL29816213 | 1.00 | GRIN2D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL25095561 | 0.89 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29816273 | 0.89 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL25096114 | 0.87 | TSHR (0.33) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29153250 | 0.75 | TDP1 (0.36) | TSHRMEN1KMT2A | |
| SCHEMBL30178030 | 0.75 | TDP1 (0.36) | TSHRMEN1KMT2A | |
| SCHEMBL30178063 | 0.72 | ALDH1A1 (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29153248 | 0.72 | ALDH1A1 (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29816060 | 0.72 | HASPIN (0.39) | MEN1KMT2A | |
| SCHEMBL29263376 | 0.72 | HASPIN (0.39) | MEN1KMT2A |
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 |