Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | BCR | P11274 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16056542 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1MAPTNPC1MCL1 | |
| SCHEMBL2351365 | 0.78 | ALDH1A1 (0.38) | ALDH1A1NPC1CA1CA2GAA | |
| SCHEMBL1638474 | 0.77 | CYP3A4 (0.37) | CYP3A4ALDH1A1MAPTNPC1MCL1 | |
| SCHEMBL27542323 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CA1CA2 | |
| SCHEMBL2164186 | 0.77 | CA12 (0.41) | CYP3A4ALDH1A1MAPTCA1CA2 | |
| SCHEMBL2351389 | 0.75 | ALDH1A1 (0.35) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20397 | 0.72 | — | — | |
| SCHEMBL6912657 | 0.72 | CA2 (0.57) | CYP3A4ALDH1A1MAPTCA1CA2 | |
| SCHEMBL27743256 | 0.71 | TAAR1 (0.33) | ALDH1A1 | |
| SCHEMBL29025470 | 0.70 | CYP3A4 (0.50) | CYP3A4ALDH1A1MAPTNPC1MCL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113286792-B | N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-112996566-B | Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-113286792-A | N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2021-08-20 | — | — | CN | disclosed |
| CN-112996566-A | Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-112912371-A | Flavone derivatives for treating and preventing hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2021-06-04 | — | — | CN | disclosed |