Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL29207994 | 0.93 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1HTR2ANPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29208088 | 0.88 | SLC6A2 (0.46) | HTR2AHTR2C | |
| Trifluoroacetic Acid SCHEMBL29208063 | 0.82 | HTR2A (0.41) | SMN1; SMN2ALDH1A1HTR2AHTR2C | |
| SCHEMBL29208075 | 0.81 | USP30 (0.49) | SMN1; SMN2ALDH1A1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29207944 | 0.80 | HTR2A (0.39) | HTR2AHTR2CITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL29208067 | 0.80 | LMNA (0.48) | SMN1; SMN2ALDH1A1HTR2A | |
| Trifluoroacetic Acid SCHEMBL5033621 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1EPHX2NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29207952 | 0.78 | HTR2A (0.47) | SMN1; SMN2ALDH1A1HTR2AHTR2C | |
| SCHEMBL29208016 | 0.75 | LMNA (0.56) | SMN1; SMN2ALDH1A1EPHX2HDAC1 | |
| Trifluoroacetic Acid SCHEMBL19030452 | 0.74 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1EPHX2ITGB3ITGA2B |
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 |