Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP5 | P51878 | 2/20 | 0.50 |
| ▸ | CASP4 | P49662 | 1/20 | 0.50 |
| ▸ | TACR3 | P29371 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30085545 | 1.00 | CASP1 (0.50) | CASP1CASP5CASP4TACR3LMNA | |
| SCHEMBL28894768 | 0.91 | DRD4 (0.48) | CASP1CASP5CASP4HPGDDRD4 | |
| SCHEMBL30085467 | 0.91 | DRD4 (0.48) | CASP1CASP5CASP4HPGDDRD4 | |
| SCHEMBL28895015 | 0.87 | TSHR (0.53) | MAPTTSHRNPSR1HPGDPIK3CA | |
| SCHEMBL30085626 | 0.87 | TSHR (0.53) | MAPTTSHRNPSR1HPGDPIK3CA | |
| SCHEMBL30085580 | 0.87 | PIK3CA (0.53) | LMNAMAPTTSHRNPSR1HPGD | |
| SCHEMBL28894673 | 0.87 | PIK3CA (0.53) | LMNAMAPTTSHRNPSR1HPGD | |
| SCHEMBL28894723 | 0.86 | CYP3A4 (0.48) | TSHRHPGDPIK3CAHSD17B10KDM4E | |
| SCHEMBL30085495 | 0.86 | CYP3A4 (0.48) | TSHRHPGDPIK3CAHSD17B10KDM4E | |
| SCHEMBL30085814 | 0.85 | PIM1 (0.49) | CASP1LMNAMAPTTSHRTP53 |
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-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | claimed |
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |