Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 7/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 SCHEMBL29207970 | 0.95 | ALDH1A1 (0.43) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30832011 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30832006 | 0.86 | KDM4E (0.47) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29208020 | 0.85 | CHRM4 (0.41) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30832047 | 0.84 | TSHR (0.47) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30831998 | 0.84 | HRH3 (0.42) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL29208106 | 0.83 | HTR2A (0.51) | HTTSMN1; SMN2HTR2AHTR2CKCNH2 | |
| SCHEMBL30832027 | 0.82 | ALDH1A1 (0.40) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30832029 | 0.82 | HTR2A (0.42) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 | |
| SCHEMBL30832022 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRKDM4EHTTSMN1; SMN2 |
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 |