Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.60 |
| ▸ | NCF1 | P14598 | 6/20 | 0.53 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30488037 | 1.00 | DYRK1A (0.60) | DYRK1ANCF1MAOBMAOAACHE | |
| SCHEMBL28589316 | 0.81 | DYRK1A (0.60) | DYRK1AMAOBMAOAACHEXDH | |
| SCHEMBL30488024 | 0.81 | DYRK1A (0.60) | DYRK1AMAOBMAOAACHEXDH | |
| SCHEMBL30488027 | 0.81 | DYRK1A (0.60) | DYRK1AMAOBMAOAACHEXDH | |
| SCHEMBL1388722 | 0.76 | DYRK1A (1.00) | DYRK1AMAOBMAOAACHENPC1 | |
| SCHEMBL28589976 | 0.76 | ACHE (0.58) | DYRK1AMAOBMAOAACHENPC1 | |
| SCHEMBL30488017 | 0.76 | ACHE (0.58) | DYRK1AMAOBMAOAACHENPC1 | |
| SCHEMBL28707075 | 0.75 | CYP2D6 (0.56) | NCF1XDHNPC1RAB9AALDH1A1 | |
| SCHEMBL4059613 | 0.75 | RARB (0.53) | NCF1ALDH1A1CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL4061378 | 0.73 | NQO1 (0.57) | NCF1ALDH1A1MAPK1CYP1A2CYP2D6 |
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 |