Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | QDPR | P09417 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29994239 | 1.00 | SLC6A4 (0.48) | SLC6A4ALDH1A1MAPTALDH1A3ALDH5A1 | |
| SCHEMBL28862143 | 0.74 | ALDH5A1 (0.42) | ALDH1A1MAPTALDH1A3ALDH5A1ABAT | |
| SCHEMBL16095742 | 0.74 | SLC6A4 (0.52) | SLC6A4MAPTQDPR | |
| SCHEMBL17645768 | 0.73 | QDPR (0.62) | ALDH1A1QDPR | |
| SCHEMBL24304686 | 0.73 | SLC6A4 (0.48) | SLC6A4ALDH1A1MAPT | |
| SCHEMBL22652012 | 0.73 | QDPR (0.52) | SLC6A4HTR2AHTR2CHTR2BQDPR | |
| SCHEMBL31091824 | 0.72 | QDPR (0.51) | SLC6A4ALDH1A1MAPTQDPR | |
| SCHEMBL15770868 | 0.72 | SLC6A4 (0.47) | SLC6A4QDPR | |
| SCHEMBL7804263 | 0.72 | SLC6A4 (0.71) | SLC6A4 | |
| SCHEMBL17670268 | 0.71 | SLC6A4 (0.41) | SLC6A4ALDH1A1MAPTQDPR |
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-108276382-B | Cyclin-dependent kinase inhibitor and application thereof | 南京圣和药物研发有限公司 | 2022-10-18 | — | — | CN | disclosed |