Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.67 |
| ▸ | CASP4 | P49662 | 1/20 | 0.67 |
| ▸ | CASP5 | P51878 | 1/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519526 | 1.00 | CASP1 (0.67) | CASP1CASP4CASP5HRH3ADRB1 | |
| SCHEMBL8549105 | 0.89 | GBA1 (0.56) | CASP1CASP4CASP5HRH3HRH4 | |
| SCHEMBL30635502 | 0.88 | GBA1 (0.55) | CASP1CASP4CASP5HRH3HRH4 | |
| SCHEMBL27941842 | 0.88 | GBA1 (0.55) | CASP1CASP4CASP5HRH3HRH4 | |
| SCHEMBL30818658 | 0.87 | HRH3 (0.51) | CASP1CASP4CASP5HRH3ADRB1 | |
| SCHEMBL9492704 | 0.80 | CASP1 (1.00) | CASP1CASP4CASP5HRH3HRH1 | |
| SCHEMBL6505711 | 0.80 | CASP1 (1.00) | CASP1CASP4CASP5HRH3HRH1 | |
| SCHEMBL20000530 | 0.80 | PIK3CA (0.51) | USP2ALDH1A1KDM4EGBA1ACHE | |
| SCHEMBL1088608 | 0.79 | HRH4 (0.59) | CASP1HRH3USP2ALDH1A1HRH4 | |
| SCHEMBL7347812 | 0.79 | GBA1 (0.51) | CASP1CASP4CASP5GBA1ACHE |
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-113307791-B | Pyrimidylpiperazine urea TRPV1 antagonistic/MOR agonistic double-target compound and preparation method and application thereof | 河南大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-113307791-A | Pyrimidylpiperazine urea TRPV1 antagonistic/MOR agonistic double-target compound and preparation method and application thereof | 河南大学 | 2021-08-27 | — | — | CN | disclosed |