Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23973915 | 0.89 | ALDH1A1 (0.49) | ALDH1A1HPGDHSD11B1KDM4EGAA | |
| SCHEMBL11332390 | 0.81 | KDM4E (0.61) | ALDH1A1HSD11B1KDM4EGAAHDAC6 | |
| SCHEMBL879253 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EHDAC8HDAC6 | |
| SCHEMBL30071572 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EHDAC8HDAC6 | |
| SCHEMBL14060151 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAASCN10A | |
| SCHEMBL14059763 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAASCN10A | |
| Hydrochloric Acid SCHEMBL8742112 | 0.77 | HSD11B1 (0.45) | ALDH1A1HPGDHSD11B1KDM4EGAA | |
| SCHEMBL1005961 | 0.77 | HDAC6 (0.43) | ALDH1A1HPGDKDM4EHDAC8HDAC6 | |
| SCHEMBL4478521 | 0.77 | HDAC8 (0.60) | ALDH1A1HPGDHDAC8HDAC6HDAC2 | |
| SCHEMBL15495178 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EGAAHDAC8 |
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-2020182990-A1 | FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-09-17 | — | — | WO | disclosed |