Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | LAP3 | P28838 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6477877 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CTSLCTSBCTSSIDO1 | |
| Hydrochloric Acid SCHEMBL3824193 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CTSLCTSBCTSSIDO1 | |
| SCHEMBL29609090 | 0.85 | LMNA (0.52) | ALDH1A1CTSLCTSBCTSSMAPK1 | |
| SCHEMBL28962790 | 0.83 | ALDH1A1 (0.47) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28669155 | 0.83 | IDO1 (0.46) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28669153 | 0.83 | IDO1 (0.46) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL23008679 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CTSLCTSBCTSSKMT2A | |
| SCHEMBL7495332 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CTSLCTSBCTSSKMT2A | |
| SCHEMBL7495338 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CTSLCTSBCTSSKMT2A | |
| SCHEMBL2130586 | 0.81 | ALDH1A1 (0.56) | ALDH1A1IDO1KMT2AMAPK1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114681443-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2024-05-10 | — | — | CN | disclosed |
| CN-116789648-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-09-22 | — | — | CN | disclosed |
| CN-114466838-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-05-02 | — | — | 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 |