Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | FPR3 | P25089 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30832033 | 0.93 | ALDH1A1 (0.41) | BRD4FPR3FPR2ALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29207989 | 0.84 | F2 (0.40) | F2BRD4CHRM3CHRNB2CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL29208063 | 0.84 | HTR2A (0.41) | ALDH1A1SMN1; SMN2HTR2C | |
| Trifluoroacetic Acid SCHEMBL29208021 | 0.81 | KMT2A (0.40) | ALDH1A1HTR4HTR2C | |
| Trifluoroacetic Acid SCHEMBL29207944 | 0.77 | HTR2A (0.39) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL29208108 | 0.77 | HTR2A (0.40) | ALDH1A1SMN1; SMN2HTR2C | |
| SCHEMBL29208060 | 0.77 | BRD4 (0.38) | BRD4ALDH1A1SMN1; SMN2HTR4 | |
| SCHEMBL30832018 | 0.74 | KMT2A (0.43) | ALDH1A1SMN1; SMN2HTR4 | |
| SCHEMBL26603099 | 0.72 | ALDH1A1 (0.40) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29208070 | 0.71 | HRH4 (0.38) | F2HRH4HRH3CHRNB2CHRNA3 |
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 |