Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.36 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL879566 | 0.87 | — | — | |
| SCHEMBL30037427 | 0.87 | — | — | |
| Formic Acid SCHEMBL28581514 | 0.75 | NOS2 (0.48) | NOS2NOS3NOS1HRH3 | |
| Formic Acid SCHEMBL30488029 | 0.75 | NUDT1 (0.49) | NOS2SMN1; SMN2NUDT1HRH3 | |
| Formic Acid SCHEMBL28916506 | 0.75 | NOS2 (0.48) | NOS2NOS3NOS1HRH3 | |
| SCHEMBL151114 | 0.74 | — | — | |
| SCHEMBL13724354 | 0.72 | GRM4 (0.53) | NOS2NOS3NOS1GAAATM | |
| Ammonia Solution, Strong SCHEMBL20919221 | 0.71 | HSP90AA1 (0.56) | NOS2NOS3NOS1GAAATM | |
| SCHEMBL30863954 | 0.71 | HSP90AA1 (0.56) | NOS2NOS3NOS1GAAATM | |
| SCHEMBL27651209 | 0.71 | HSP90AA1 (0.56) | NOS2NOS3NOS1GAAATM |
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-113061116-B | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2023-07-25 | — | — | CN | disclosed |
| CN-113061116-A | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2021-07-02 | — | — | CN | disclosed |