Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 SCHEMBL29207925 | 0.95 | KDM4E (0.43) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30832001 | 0.86 | ALDH1A1 (0.47) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30832022 | 0.86 | ALDH1A1 (0.41) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30832029 | 0.86 | HTR2A (0.42) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL29208106 | 0.85 | HTR2A (0.51) | HTTSMN1; SMN2KMT2AMEN1HTR2A | |
| SCHEMBL30832003 | 0.84 | ALDH1A1 (0.42) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30831993 | 0.84 | MMP13 (0.42) | KDM4EALDH1A1TSHRHTR2AHTR2C | |
| SCHEMBL30832048 | 0.84 | KIT (0.43) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30832019 | 0.83 | MAPK14 (0.42) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30832027 | 0.83 | ALDH1A1 (0.40) | KDM4EALDH1A1TSHRHTTSMN1; 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 |