Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 10/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29207995 | 0.95 | HTR2A (0.38) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30831995 | 0.84 | KDM4E (0.39) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30832022 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30832027 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30831998 | 0.83 | HRH3 (0.42) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL29208002 | 0.82 | HTR2A (0.39) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30832001 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL29208106 | 0.80 | HTR2A (0.51) | SMN1; SMN2HTTHTR2AHTR1ATMEM97 | |
| SCHEMBL30832006 | 0.80 | KDM4E (0.47) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT | |
| SCHEMBL30832019 | 0.80 | MAPK14 (0.42) | ALDH1A1TSHRSMN1; SMN2KDM4EHTT |
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 |