Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MITF | O75030 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21521213 | 0.86 | MAPT (0.32) | NPC1ALDH1A1MAPTRAB9AS1PR4 | |
| SCHEMBL21521214 | 0.86 | MAPT (0.32) | NPC1ALDH1A1MAPTRAB9AS1PR4 | |
| SCHEMBL26914899 | 0.84 | NPC1 (0.33) | NPC1ALDH1A1MAPTRAB9AS1PR4 | |
| SCHEMBL26914895 | 0.84 | NPC1 (0.33) | NPC1ALDH1A1MAPTRAB9AS1PR4 | |
| SCHEMBL26125473 | 0.82 | — | — | |
| SCHEMBL26125475 | 0.82 | — | — | |
| SCHEMBL29841952 | 0.81 | TIPARP (0.31) | NPC1ALDH1A1MAPTRAB9AS1PR4 | |
| SCHEMBL21520781 | 0.78 | TIPARP (0.31) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL21520779 | 0.78 | TIPARP (0.31) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL21519273 | 0.76 | NPC1 (0.50) | NPC1ALDH1A1MAPTRAB9AS1PR4 |
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-116724044-A | Tri-heterocyclic compound, preparation method and application thereof | 上海湃隆生物科技有限公司 | 2023-09-08 | — | — | CN | disclosed |