Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19181005 | 1.00 | GAA (0.57) | GAAMAPTTSHRMAPK1HTT | |
| Hydrochloric Acid SCHEMBL30148629 | 0.98 | GAA (0.56) | GAAMAPTTSHRMAPK1HTT | |
| Hydrochloric Acid SCHEMBL30772166 | 0.86 | GAA (0.47) | GAAMAPTTSHRMAPK1HTT | |
| SCHEMBL24802459 | 0.83 | MEN1 (0.45) | TSHRALDH1A1POLBCYP3A4CYP1A2 | |
| SCHEMBL2746212 | 0.82 | GAA (0.62) | GAAMAPTTSHRMAPK1HTT | |
| SCHEMBL24802541 | 0.81 | POLB (0.59) | MAPTALDH1A1KDM4EPOLBCYP3A4 | |
| SCHEMBL1624350 | 0.81 | GAA (0.61) | GAAMAPTTSHRMAPK1HTT | |
| SCHEMBL5159628 | 0.80 | CASP1 (0.36) | GAAMAPTTSHRMAPK1HTT | |
| SCHEMBL24804875 | 0.79 | NR1H4 (0.44) | GAAMAPTTSHRALDH1A1KDM4E | |
| SCHEMBL3619308 | 0.79 | NR1H4 (0.50) | MAPK1HTTALDH1A1POLBCYP3A4 |
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-117580836-A | Pyrimidine ring structure derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-02-20 | — | — | CN | disclosed |