Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL30842007 | 0.95 | HTR2A (0.37) | HTR2AHTR2CKCNH2HTR1ATMEM97 | |
| Trifluoroacetic Acid SCHEMBL29208042 | 0.88 | HTR2A (0.38) | HTR2AHTR2CKCNH2HTR1ATMEM97 | |
| Trifluoroacetic Acid SCHEMBL29208012 | 0.86 | HTR2A (0.40) | HTR2AHTR2CKCNH2CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL29208009 | 0.86 | HTR2A (0.38) | HTR2AHTR2CKCNH2HTR1ATMEM97 | |
| Trifluoroacetic Acid SCHEMBL29208051 | 0.85 | HTR2A (0.42) | HTR2AHTR2CKCNH2KMT2ACHRM4 | |
| Trifluoroacetic Acid SCHEMBL29208087 | 0.85 | HTR2A (0.41) | HTR2AHTR2CKCNH2CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL29208069 | 0.83 | ALDH1A1 (0.39) | HTR2AHTR2CKCNH2HTR1ATMEM97 | |
| Trifluoroacetic Acid SCHEMBL29208034 | 0.83 | HTR2A (0.40) | HTR2AHTR2CKCNH2ALDH1A1TSHR | |
| SCHEMBL30832027 | 0.83 | ALDH1A1 (0.40) | HTR2AHTR2CKCNH2HTR1ATMEM97 | |
| Trifluoroacetic Acid SCHEMBL29208076 | 0.82 | HTR2A (0.39) | HTR2AHTR2CKCNH2HTR1ATMEM97 |
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 |