Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.40 |
| ▸ | BPTF | Q12830 | 2/20 | 0.38 |
| ▸ | KARS1 | Q15046 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP4 | P49662 | 1/20 | 0.37 |
| ▸ | CASP5 | P51878 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL18153318 | 0.75 | BPTF (0.65) | DPP4BPTFKARS1CASP1CASP4 | |
| Hydrochloric Acid SCHEMBL28463160 | 0.72 | AURKA (0.55) | DPP4AURKARIPK1CHEK1RET | |
| SCHEMBL17303961 | 0.71 | HRH4 (0.54) | CASP1CASP4CASP5ROCK1ADRB1 | |
| SCHEMBL945117 | 0.68 | CASP1 (0.53) | CASP1CASP4CASP5ADRB1NCF1 | |
| SCHEMBL23299936 | 0.66 | HRH4 (0.57) | DPP4CASP1CASP4CASP5ADRB1 | |
| Hydrochloric Acid SCHEMBL15286713 | 0.65 | CASP1 (0.49) | CASP1CASP4CASP5ADRB1NCF1 | |
| SCHEMBL18278698 | 0.65 | DPP4 (0.38) | DPP4BPTFKARS1CASP1CASP4 | |
| SCHEMBL27389432 | 0.62 | KDM4E (0.53) | DPP4CASP1CASP4CASP5ADRB1 | |
| SCHEMBL16809209 | 0.61 | NUDT1 (0.50) | DPP4BPTFCASP1CASP4CASP5 | |
| SCHEMBL15286256 | 0.61 | KDM4E (0.46) | DPP4CASP1CASP4CASP5ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035065-A1 | PYRAZOLE DERIVATIVE AS RET INHIBITOR | 南京明德新药研发有限公司 | 2020-02-20 | — | — | WO | disclosed |