Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 3/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL799134 | 0.74 | PTGS2 (0.39) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL21998501 | 0.72 | IDH1 (0.42) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL11317932 | 0.72 | PTGS2 (0.49) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL26007774 | 0.69 | PTGS2 (0.46) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL26005499 | 0.69 | PTGS2 (0.68) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL26005494 | 0.69 | PTGS2 (0.54) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL889379 | 0.69 | MGLL (0.48) | TYRRNASEH1KDM4EALDH1A1ALOX15 | |
| SCHEMBL14501877 | 0.69 | ACACB (0.40) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL22214031 | 0.68 | PTGS2 (0.38) | IDH1PTGS2TYRHDAC4HDAC8 | |
| SCHEMBL4627329 | 0.68 | SMN1; SMN2 (0.55) | IDH1KDM4EALDH1A1HPGDSMN1; SMN2 |
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-2020079106-A1 | CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-04-23 | — | — | WO | disclosed |