Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30033880 | 1.00 | PIM1 (0.39) | PIM1TDP1KDM4EALDH1A1CHEK1 | |
| SCHEMBL28590787 | 0.87 | CYP1A2 (0.43) | PIM1TDP1KDM4EALDH1A1TYMS | |
| SCHEMBL30035771 | 0.84 | DDR1 (0.38) | PIM1TDP1CHEK1TYMSRXFP1 | |
| SCHEMBL28592439 | 0.84 | DDR1 (0.38) | PIM1TDP1CHEK1TYMSRXFP1 | |
| SCHEMBL23775716 | 0.80 | RORA (0.36) | PIM1TDP1KDM4EALDH1A1HTR2A | |
| SCHEMBL16166662 | 0.80 | BRPF1 (0.37) | KDM4EALDH1A1TYMSHTR2ACA12 | |
| SCHEMBL19332575 | 0.80 | PSMB1 (0.49) | ALDH1A1TYMSHTR2AHTR2CDPP4 | |
| SCHEMBL31559172 | 0.80 | PSMB1 (0.49) | ALDH1A1TYMSHTR2AHTR2CDPP4 | |
| SCHEMBL25910676 | 0.80 | HTR2C (0.39) | TYMSHTR2AHTR2CPTGDR2CYP1A2 | |
| SCHEMBL78681 | 0.78 | KDM4E (0.45) | KDM4EALDH1A1DDR1DPP4MEN1 |
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-112876413-B | Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative | 南开大学 | 2022-10-28 | — | — | CN | disclosed |
| CN-112876413-A | Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative | 南开大学 | 2021-06-01 | — | — | CN | disclosed |