Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.51 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.50 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.48 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917311 | 1.00 | SLC6A4 (0.51) | SLC6A4PRMT5WDR77SLC6A2CACNA2D1 | |
| SCHEMBL22714186 | 0.93 | SLC6A4 (0.51) | SLC6A4PRMT5WDR77SLC6A2CACNA2D1 | |
| SCHEMBL20917072 | 0.90 | SLC6A4 (0.59) | SLC6A4SLC6A2CACNA2D1HTTCYP2C19 | |
| SCHEMBL20917057 | 0.86 | CACNA2D1 (0.47) | PRMT5WDR77SLC6A2CACNA2D1HTT | |
| SCHEMBL30438999 | 0.86 | CACNA2D1 (0.47) | PRMT5WDR77SLC6A2CACNA2D1HTT | |
| SCHEMBL22714192 | 0.86 | SLC6A4 (0.59) | SLC6A4SLC6A2CACNA2D1HTTCYP2C19 | |
| SCHEMBL30438709 | 0.85 | CACNA2D1 (0.57) | SLC6A2CACNA2D1 | |
| SCHEMBL20917081 | 0.85 | CACNA2D1 (0.57) | SLC6A2CACNA2D1 | |
| SCHEMBL20917143 | 0.83 | SLC6A4 (0.51) | SLC6A4SLC6A2CACNA2D1HTTCYP2C19 | |
| SCHEMBL30438620 | 0.83 | SLC6A4 (0.51) | SLC6A4SLC6A2CACNA2D1HTTCYP2C19 |
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 |