Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29174633 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MAPTCOMTRPS6KA5CNR2 | |
| SCHEMBL17025988 | 0.85 | ALDH1A1 (0.38) | ALDH1A1MAPTCOMTRPS6KA5CNR2 | |
| SCHEMBL24054328 | 0.84 | CCNE2 (0.47) | ALDH1A1MAPTCOMTRPS6KA5CNR2 | |
| SCHEMBL21858869 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTCOMTCNR2CYP1A2 | |
| SCHEMBL21858874 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MAPTCOMTCNR2CYP1A2 | |
| SCHEMBL22895800 | 0.72 | IDH1 (0.41) | ALDH1A1MAPTCOMTCYP1A2CYP3A4 | |
| SCHEMBL31205930 | 0.72 | IDH1 (0.41) | ALDH1A1MAPTCOMTCYP1A2CYP3A4 | |
| SCHEMBL29174652 | 0.72 | JAK2 (0.47) | TGFBR1TGFBR2CCNE2CCNE1CDK2 | |
| SCHEMBL25282062 | 0.71 | KDM4E (0.39) | ALDH1A1MAPTRPS6KA5BDKRB2 | |
| SCHEMBL30166286 | 0.71 | KDM4E (0.39) | ALDH1A1MAPTRPS6KA5BDKRB2 |
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-117430589-A | 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof | 励缔(杭州)医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |