Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 SCHEMBL29207989 | 0.94 | F2 (0.40) | BRD4PTK2HTR2A | |
| SCHEMBL29208108 | 0.84 | HTR2A (0.40) | SMN1; SMN2ALDH1A1HTR2A | |
| SCHEMBL30832033 | 0.82 | ALDH1A1 (0.41) | BRD4HTR4SMN1; SMN2ALDH1A1CHEK1 | |
| SCHEMBL30832007 | 0.80 | HTR2A (0.38) | SMN1; SMN2ALDH1A1HTR2A | |
| SCHEMBL30842029 | 0.79 | HTR4 (0.39) | HTR4SMN1; SMN2ALDH1A1HTR2A | |
| Trifluoroacetic Acid SCHEMBL29208063 | 0.78 | HTR2A (0.41) | SMN1; SMN2ALDH1A1HTR2A | |
| Trifluoroacetic Acid SCHEMBL29207992 | 0.77 | F2 (0.41) | BRD4HTR4SMN1; SMN2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29207944 | 0.74 | HTR2A (0.39) | HTR2A | |
| SCHEMBL29280906 | 0.74 | CHRM1 (0.41) | — | |
| SCHEMBL30832028 | 0.71 | USP30 (0.38) | SMN1; SMN2ALDH1A1HTR2ACHEK1CHEK2 |
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 2 patents. 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 |
| WO-2024067304-A1 | COMPOUND WITH INHIBITORY ACTIVITY AGAINST SIGMA2 AND 5HT2A AND USE | 瀚远医药有限公司 | 2024-04-04 | — | — | WO | disclosed |