Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 18/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29208108 | 0.94 | HTR2A (0.40) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| Trifluoroacetic Acid SCHEMBL29207944 | 0.93 | HTR2A (0.39) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| SCHEMBL30832007 | 0.86 | HTR2A (0.38) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| Trifluoroacetic Acid SCHEMBL29207989 | 0.86 | F2 (0.40) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| Trifluoroacetic Acid SCHEMBL29207992 | 0.84 | F2 (0.41) | HTR2CALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29208087 | 0.82 | HTR2A (0.41) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| Trifluoroacetic Acid SCHEMBL29207980 | 0.82 | SMN1; SMN2 (0.55) | HTR2AHTR2CALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29208070 | 0.82 | HRH4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL29208088 | 0.81 | SLC6A2 (0.46) | HTR2ACYP1A2HTR2CCYP2C19HTR2B | |
| SCHEMBL29208060 | 0.78 | BRD4 (0.38) | HTR2AALDH1A1SMN1; SMN2 |
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 |