Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23162568 | 1.00 | LMNA (0.52) | LMNAHTTALOX15AURKARPS6KB1 | |
| SCHEMBL29623281 | 0.83 | ALDH1A1 (0.54) | LMNAHTTALDH1A1KDM4EMAPK1 | |
| SCHEMBL23204279 | 0.83 | ALDH1A1 (0.54) | LMNAHTTALDH1A1KDM4EMAPK1 | |
| SCHEMBL29623143 | 0.80 | MAPT (0.53) | LMNAHTTALOX15AURKARPS6KB1 | |
| SCHEMBL23162549 | 0.80 | MAPT (0.53) | LMNAHTTALOX15AURKARPS6KB1 | |
| SCHEMBL4929341 | 0.78 | KDM4C (0.57) | LMNAHTTALOX15AURKARPS6KB1 | |
| SCHEMBL8243683 | 0.76 | PGK1 (0.41) | ALDH1A1KDM4EMAP4K4HSD17B10HPGD | |
| SCHEMBL4267388 | 0.75 | TSHR (0.53) | AURKAALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL23162580 | 0.75 | TAAR1 (0.56) | LMNAHTTALDH1A1KDM4EMAPK1 | |
| SCHEMBL4261576 | 0.74 | ADRA2A (0.41) | LMNAKDM4ETSHRHSD17B10SRC |
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 |
|---|---|---|---|---|---|---|---|
| EP-4038065-A1 | SUBSTITUTED PYRIMIDINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2022-08-10 | — | — | EP | disclosed |
| CN-114450277-A | Substituted pyrimidines for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2022-05-06 | — | — | CN | disclosed |