Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.52 |
| ▸ | CACNA2D1 | P54289 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917104 | 1.00 | SLC6A2 (0.52) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20917272 | 0.84 | SLC6A4 (0.61) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30438569 | 0.84 | SLC6A4 (0.61) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20917054 | 0.82 | ALDH1A1 (0.60) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30438714 | 0.82 | ALDH1A1 (0.60) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20917060 | 0.80 | SLC6A4 (0.61) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20917059 | 0.78 | SLC6A4 (0.66) | SLC6A2CACNA2D1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30438686 | 0.76 | SLC6A4 (0.63) | SLC6A2CACNA2D1NPC1RAB9ATP53 | |
| SCHEMBL20917103 | 0.76 | SLC6A4 (0.63) | SLC6A2CACNA2D1NPC1RAB9ATP53 | |
| SCHEMBL20917307 | 0.74 | SLC6A4 (0.59) | SLC6A2CACNA2D1SMN1; SMN2ALDH1A1SLC6A4 |
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-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 |