Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30832020 | 0.95 | ALDH1A1 (0.42) | HTR2AALDH1A1CYP1A2CYP3A4GAA | |
| Trifluoroacetic Acid SCHEMBL29207943 | 0.93 | MLLT1 (0.40) | HTR2AHRH3KCNH2HTR2C | |
| Trifluoroacetic Acid SCHEMBL29207960 | 0.89 | HRH3 (0.39) | HTR2AALDH1A1TSHRHRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29208071 | 0.89 | ALDH1A1 (0.49) | HTR2AALDH1A1CYP1A2CYP3A4GAA | |
| Trifluoroacetic Acid SCHEMBL29207990 | 0.89 | KCNH2 (0.39) | HTR2AALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL30832023 | 0.88 | MLLT1 (0.43) | HTR2AALDH1A1TSHRHRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29208087 | 0.87 | HTR2A (0.41) | HTR2ACYP1A2CYP2C19HRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29208012 | 0.85 | HTR2A (0.40) | HTR2ACYP1A2CYP2C19HRH3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29208068 | 0.84 | HTR2A (0.47) | HTR2AKCNH2MEN1KMT2AHTR2C | |
| SCHEMBL30832039 | 0.84 | ALDH1A1 (0.54) | HTR2AALDH1A1CYP1A2CYP3A4GAA |
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 |