Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL875422 | 0.79 | NOS2 (0.40) | LMNA | |
| SCHEMBL5897867 | 0.76 | SLC6A3 (0.45) | SLC6A3LMNAALDH1A1NPC1RAB9A | |
| SCHEMBL10225997 | 0.75 | NPC1 (0.34) | LMNAALDH1A1NPC1RAB9AHTT | |
| SCHEMBL805465 | 0.73 | NOS3 (0.45) | SLC6A3LMNAALDH1A1NPC1RAB9A | |
| SCHEMBL6505673 | 0.73 | LMNA (0.39) | LMNAALDH1A1HTTKMT2A | |
| SCHEMBL4915807 | 0.71 | SLC6A3 (0.41) | SLC6A3LMNAALDH1A1NPC1RAB9A | |
| SCHEMBL5897870 | 0.71 | SLC6A3 (0.41) | SLC6A3LMNAALDH1A1NPC1RAB9A | |
| SCHEMBL874707 | 0.71 | HTT (0.47) | LMNAALDH1A1HSD17B10HTTKMT2A | |
| Hydrochloric Acid SCHEMBL4918186 | 0.70 | SLC6A3 (0.40) | SLC6A3LMNAALDH1A1NPC1RAB9A | |
| SCHEMBL13026558 | 0.70 | NOS2 (0.48) | SLC6A3ALDH1A1HSD17B10 |
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-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |