Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 7/20 | 0.34 |
| ▸ | SLC16A1 | P53985 | 7/20 | 0.34 |
| ▸ | MCTS1 | Q9ULC4 | 5/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168197 | 0.83 | LMNA (0.36) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL29168198 | 0.83 | LMNA (0.36) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL29168094 | 0.82 | SCN9A (0.32) | — | |
| SCHEMBL29168050 | 0.78 | ANO1 (0.39) | SMN1; SMN2NPSR1NPC1RAB9AANO1 | |
| SCHEMBL30133689 | 0.78 | SCN9A (0.39) | SMN1; SMN2NPSR1NPC1RAB9AMEN1 | |
| SCHEMBL29168234 | 0.78 | SCN9A (0.39) | SMN1; SMN2NPSR1NPC1RAB9AMEN1 | |
| SCHEMBL29168334 | 0.74 | TACR3 (0.33) | — | |
| SCHEMBL29168293 | 0.73 | SLC6A2 (0.36) | SMN1; SMN2RAB9AMEN1KMT2AGAA | |
| SCHEMBL29168291 | 0.73 | SLC6A2 (0.36) | SMN1; SMN2RAB9AMEN1KMT2AGAA | |
| SCHEMBL29168078 | 0.69 | PPARG (0.41) | SMN1; SMN2NPSR1NPC1RAB9AMEN1 |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |