Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 SCHEMBL29207991 | 0.95 | PRKAB2 (0.40) | SMN1; SMN2LMNARAB9ACXCR1CXCR2 | |
| SCHEMBL30842115 | 0.88 | CYP2D6 (0.41) | SMN1; SMN2LMNAALDH1A1MAPTHTT | |
| SCHEMBL30832023 | 0.87 | MLLT1 (0.43) | SMN1; SMN2LMNAALDH1A1HTTKDM4E | |
| SCHEMBL30831999 | 0.84 | ALDH1A1 (0.43) | SMN1; SMN2LMNAALDH1A1HTTKDM4E | |
| SCHEMBL30832008 | 0.83 | ALDH1A1 (0.44) | SMN1; SMN2LMNAALDH1A1MAPTHTT | |
| Trifluoroacetic Acid SCHEMBL29207977 | 0.83 | CYP2D6 (0.38) | SMN1; SMN2LMNAALDH1A1MAPTHTT | |
| Trifluoroacetic Acid SCHEMBL29207943 | 0.83 | MLLT1 (0.40) | HTR2AHTR2CKCNH2 | |
| SCHEMBL30832010 | 0.81 | MEN1 (0.41) | SMN1; SMN2ALDH1A1HTTKDM4EMEN1 | |
| SCHEMBL30842106 | 0.80 | DEGS1 (0.40) | SMN1; SMN2ALDH1A1HTTKDM4ETSHR | |
| SCHEMBL29220441 | 0.78 | HTR2A (0.45) | SMN1; SMN2LMNARAB9ANPC1ALDH1A1 |
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 |