Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29207980 | 0.93 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AHTR2A | |
| SCHEMBL29208075 | 0.85 | USP30 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL29208108 | 0.79 | HTR2A (0.40) | ALDH1A1SMN1; SMN2HTR2A | |
| Trifluoroacetic Acid SCHEMBL29208088 | 0.79 | SLC6A2 (0.46) | HTR2A | |
| SCHEMBL29208016 | 0.79 | LMNA (0.56) | ALDH1A1SMN1; SMN2KMT2APKM | |
| SCHEMBL30832007 | 0.77 | HTR2A (0.38) | ALDH1A1SMN1; SMN2HTR2A | |
| SCHEMBL13745650 | 0.77 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL26633874 | 0.77 | SMN1; SMN2 (0.60) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL30832045 | 0.76 | LMNA (0.52) | ALDH1A1SMN1; SMN2NPC1HTR2AKMT2A | |
| SCHEMBL24011366 | 0.75 | SMN1; SMN2 (0.76) | ALDH1A1SMN1; SMN2NPC1RAB9AHRH3 |
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-117964547-A | Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor | 瀚远医药有限公司 | 2024-05-03 | — | — | CN | disclosed |