Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28979216 | 1.00 | EGFR (0.40) | EGFRNR1H2NR1H3ALDH1A1MAPT | |
| SCHEMBL12090660 | 0.81 | KDM4E (0.40) | ALDH1A1MAPTRAB9ACMA1 | |
| SCHEMBL9202964 | 0.80 | CASP3 (0.47) | ALDH1A1MAPTCMA1 | |
| SCHEMBL17421175 | 0.80 | BRD4 (0.41) | MAPTCMA1 | |
| SCHEMBL3831736 | 0.80 | MAPT (0.49) | NR1H2NR1H3ALDH1A1MAPTRAB9A | |
| SCHEMBL30293275 | 0.78 | LMNA (0.49) | ALDH1A1MAPTRAB9ADRD2DRD1 | |
| SCHEMBL6602559 | 0.78 | LMNA (0.49) | ALDH1A1MAPTRAB9ADRD2DRD1 | |
| SCHEMBL5423529 | 0.75 | MAOA (0.44) | — | |
| SCHEMBL3832637 | 0.75 | CASP6 (0.52) | NR1H2NR1H3ALDH1A1 | |
| SCHEMBL3383722 | 0.74 | MAOA (0.36) | ALDH1A1MAPTRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |