Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL845573 | 1.00 | SMN1; SMN2 (0.64) | SMN1; SMN2KDM4EGAAPKMPOLB | |
| SCHEMBL29618412 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2KDM4EGAAMAPK1ALDH1A1 | |
| SCHEMBL16019318 | 0.78 | SMN1; SMN2 (0.93) | SMN1; SMN2KDM4EGAAPKMMAPK1 | |
| SCHEMBL29375167 | 0.78 | SMN1; SMN2 (0.93) | SMN1; SMN2KDM4EGAAPKMMAPK1 | |
| SCHEMBL5624979 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2KDM4EGAAMAPK1ALDH1A1 | |
| SCHEMBL7913275 | 0.77 | SMN1; SMN2 (0.97) | SMN1; SMN2KDM4EGAAMAPK1ALDH1A1 | |
| SCHEMBL29618403 | 0.75 | SMN1; SMN2 (0.53) | SMN1; SMN2KDM4EGAAPKMPOLB | |
| SCHEMBL28758443 | 0.75 | SMN1; SMN2 (0.53) | SMN1; SMN2KDM4EGAAPKMPOLB | |
| SCHEMBL4086101 | 0.73 | SMN1; SMN2 (0.39) | SMN1; SMN2KDM4EGAAPKMPOLB | |
| SCHEMBL17985355 | 0.73 | SMN1; SMN2 (0.62) | SMN1; SMN2KDM4EGAAPKMPOLB |
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-110869363-B | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 百时美施贵宝公司 | 2024-01-05 | — | — | CN | disclosed |