Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1811182 | 0.81 | CYP1A2 (0.55) | CYP1A2MAPTPFKFB3GAAALDH1A1 | |
| SCHEMBL31186040 | 0.77 | CYP1A2 (0.56) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL2822250 | 0.76 | CYP1A2 (0.55) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL2817557 | 0.76 | CYP1A2 (0.55) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL31186092 | 0.76 | CYP1A2 (0.51) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL22304530 | 0.74 | CYP1A2 (0.52) | CYP1A2MAPTPFKFB3GAAALDH1A1 | |
| SCHEMBL30080477 | 0.74 | CXCR4 (0.49) | PDCD1CD274CXCR4NTRK1 | |
| SCHEMBL31186103 | 0.74 | CYP1A2 (0.49) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL7336055 | 0.74 | CYP1A2 (0.77) | CYP1A2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL536661 | 0.72 | CYP1A2 (0.74) | CYP1A2MAPTGAAALDH1A1KDM4E |
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-112996783-B | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2022-11-18 | — | — | CN | disclosed |
| WO-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |