Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.34 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.34 |
| ▸ | MCTS1 | Q9ULC4 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168015 | 0.81 | CTSL (0.41) | ANO1HPGDMAPTSLC16A3MCTS1 | |
| SCHEMBL29168184 | 0.81 | PPARG (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL29168183 | 0.81 | PPARG (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL29168233 | 0.80 | SCN9A (0.35) | NPC1HPGDLMNAMAPTSCN9A | |
| SCHEMBL29168232 | 0.78 | SMN1; SMN2 (0.36) | ANO1NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL30133676 | 0.76 | SSTR3 (0.41) | CNR1HPGDALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL29168052 | 0.76 | SSTR3 (0.41) | CNR1HPGDALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL29168078 | 0.72 | PPARG (0.41) | ANO1CNR1NPC1RAB9AHPGD | |
| SCHEMBL29168081 | 0.71 | TACR3 (0.36) | SCN9A | |
| SCHEMBL29168191 | 0.70 | PPARG (0.39) | ANO1CNR1NPC1RAB9AHPGD |
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 |