Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | MAP2 | P11137 | 3/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL24189144 | 0.87 | KDM4E (0.53) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL8985827 | 0.85 | KDM4E (0.60) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL30149138 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHSD17B10MAP2 | |
| SCHEMBL29613774 | 0.77 | MAP2 (0.42) | ALDH1A1KDM4EMAPTMAP2TUBB4A | |
| SCHEMBL1786191 | 0.75 | KDM4E (0.53) | ALDH1A1KDM4EMAPTHSD17B10MAP2 | |
| SCHEMBL7778483 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL5102654 | 0.73 | HTR2A (0.52) | ALDH1A1KDM4EMAPTPARP1HPGD | |
| SCHEMBL8054562 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL6008353 | 0.71 | ABCG2 (0.65) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL1547778 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTHSD17B10MAP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789648-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-09-22 | — | — | CN | disclosed |
| CN-114681443-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2022-07-01 | — | — | CN | disclosed |
| CN-114466838-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2022-05-10 | — | — | CN | disclosed |