Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 11/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.36 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.36 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.36 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.36 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.36 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.36 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.36 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.36 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.36 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.36 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15524582 | 1.00 | CES2 (0.44) | CES2CES1MDM2ITGB2ICAM1 | |
| SCHEMBL17121672 | 0.88 | CES2 (0.46) | CES2CES1MDM2ITGB2ICAM1 | |
| SCHEMBL18760099 | 0.85 | — | — | |
| SCHEMBL30589585 | 0.82 | CTSS (0.45) | CES2CES1CTSB | |
| SCHEMBL30939746 | 0.81 | CASP3 (0.47) | CTSB | |
| SCHEMBL17102160 | 0.81 | CASP3 (0.47) | CTSB | |
| SCHEMBL17865486 | 0.78 | CES2 (0.44) | CES2CES1MDM2ITGB2ICAM1 | |
| SCHEMBL18852418 | 0.75 | CES2 (0.47) | CES2CES1MDM2 | |
| SCHEMBL15524008 | 0.72 | CES2 (0.40) | CES2CES1PSMB5PSMB11PSMA7 | |
| SCHEMBL19712089 | 0.72 | CES2 (0.40) | CES2CES1PSMB5PSMB11PSMA7 |
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-113831266-B | Synthesis of alkyl 1- (2, 5-difluorophenyl) -1-oxopent-4-yn-2-ylcarbamate | 河南医学高等专科学校 | 2024-04-05 | — | — | CN | claimed |
| CN-113831266-B | Synthesis of alkyl 1- (2, 5-difluorophenyl) -1-oxopent-4-yn-2-ylcarbamate | 河南医学高等专科学校 | 2024-04-05 | — | — | CN | disclosed |