Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871238 | 0.87 | GRIN1 (0.49) | PDE5AGRIN1GRIN2BHDAC3HDAC4 | |
| SCHEMBL28871318 | 0.86 | NPC1 (0.49) | MRGPRX4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10475479 | 0.81 | GAA (0.66) | PDE5AGRIN1GRIN2BHDAC3HDAC4 | |
| SCHEMBL28871222 | 0.76 | GRIN1 (0.46) | GRIN1GRIN2BHDAC3HDAC4HDAC1 | |
| SCHEMBL29968491 | 0.76 | GRIN1 (0.46) | GRIN1GRIN2BHDAC3HDAC4HDAC1 | |
| SCHEMBL20297892 | 0.75 | POLB (0.43) | GRIN1GRIN2BSMN1; SMN2HTTGAA | |
| SCHEMBL8326657 | 0.75 | HDAC1 (0.56) | GRIN1GRIN2BHDAC3HDAC4HDAC1 | |
| SCHEMBL29968313 | 0.74 | PIK3CD (0.41) | PDE5AGRIN1GRIN2BSMN1; SMN2HTR6 | |
| SCHEMBL14300571 | 0.72 | TDP1 (0.40) | GRIN1GRIN2BSMN1; SMN2HTR6ALDH1A1 | |
| SCHEMBL8321908 | 0.71 | HDAC1 (0.70) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |