Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 15/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | BRAF | P15056 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917067 | 1.00 | CACNA2D1 (0.59) | CACNA2D1ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL22714212 | 0.89 | CACNA2D1 (0.60) | CACNA2D1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL20917054 | 0.85 | ALDH1A1 (0.60) | CACNA2D1ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL30438714 | 0.85 | ALDH1A1 (0.60) | CACNA2D1ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL20917283 | 0.85 | CACNA2D1 (0.58) | CACNA2D1MAPK1MEN1NPC1RAB9A | |
| SCHEMBL20599777 | 0.81 | CACNA2D1 (0.67) | CACNA2D1SLC6A2 | |
| SCHEMBL20917078 | 0.81 | CACNA2D1 (0.50) | CACNA2D1ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL20917081 | 0.80 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL30438709 | 0.80 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL20917049 | 0.78 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111225901-B | Propylamine derivatives for the treatment of pain and pain-related disorders | 埃斯特韦制药股份公司 | 2023-07-04 | — | — | CN | claimed |
| CN-111225901-B | Propylamine derivatives for the treatment of pain and pain-related disorders | 埃斯特韦制药股份公司 | 2023-07-04 | — | — | CN | disclosed |