Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 SCHEMBL29207976 | 0.94 | HTR2A (0.44) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| SCHEMBL30832005 | 0.85 | KMT2A (0.48) | HTR2AHTR2CMEN1KMT2AKCNH2 | |
| Trifluoroacetic Acid SCHEMBL29208053 | 0.83 | PTGIR (0.41) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL29207934 | 0.80 | KMT2A (0.45) | HTR2AHTR2CMEN1KMT2AKCNH2 | |
| SCHEMBL29208006 | 0.80 | HTR2A (0.54) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| SCHEMBL30832013 | 0.79 | DRD2 (0.49) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL29207967 | 0.79 | HTR2A (0.53) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL29208110 | 0.78 | HTR2A (0.52) | HTR2AHTR2CDRD2HTR2BSIGMAR1 | |
| SCHEMBL29280915 | 0.77 | HTR2A (0.61) | HTR2AHTR2CSIGMAR1KCNH2HTR1A | |
| SCHEMBL10587379 | 0.77 | ALDH1A1 (0.57) | HTR2AHTR2CDRD2HTR2BSIGMAR1 |
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 |