Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 7/20 | 0.63 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29417352 | 1.00 | CHRM5 (0.63) | CHRM5CHRM3ALDH1A1ALDH3A1CES1 | |
| SCHEMBL28026196 | 0.83 | CHRM5 (0.72) | CHRM5CHRM3ALDH1A1ALDH3A1CES1 | |
| SCHEMBL30967409 | 0.82 | CHRM5 (0.70) | CHRM5CHRM3ALDH1A1ALDH3A1CES1 | |
| SCHEMBL770153 | 0.79 | CASP3 (0.54) | CHRM5ALDH1A1MAPTCASP3 | |
| SCHEMBL30030790 | 0.77 | CHRM5 (1.00) | CHRM5CHRM3ALDH1A1ALDH3A1CES1 | |
| SCHEMBL22589377 | 0.73 | ALDH3A1 (1.00) | ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL12930258 | 0.73 | CHRM5 (0.81) | CHRM5CHRM3ALDH1A1ALDH3A1TP53 | |
| SCHEMBL22589412 | 0.73 | ALDH1A1 (0.79) | ALDH1A1ALDH3A1ALDH2 | |
| Bromide SCHEMBL22589442 | 0.73 | ALDH3A1 (1.00) | ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL28026197 | 0.72 | CHRM5 (0.61) | CHRM5CHRM3ALDH1A1ALDH3A1CES1 |
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-114502538-A | Substituted 3, 4-dihydroquinazolines for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114144401-A | Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases | 豪夫迈·罗氏有限公司 | 2022-03-04 | — | — | CN | disclosed |