Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.43 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939968 | 0.83 | ALDH1A1 (0.42) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL8674984 | 0.82 | CYP2A6 (0.43) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL7284930 | 0.78 | CYP2A6 (0.46) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL28935765 | 0.76 | ALDH1A1 (0.40) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL26908497 | 0.76 | CYP2A6 (0.48) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL1162021 | 0.74 | NPSR1 (0.62) | NPSR1ALDH1A1POLBHSD17B10 | |
| SCHEMBL13082375 | 0.74 | L3MBTL1 (0.48) | ADRB2ADRB1ADRB3ALDH1A1EPHX2 | |
| SCHEMBL25196222 | 0.73 | CYP2A6 (0.41) | ALDH5A1ABATADRB2ADRB1ADRB3 | |
| SCHEMBL31299182 | 0.73 | ALDH1A1 (0.45) | NPSR1ALDH1A1EPHX2NR1H4POLB | |
| SCHEMBL24345747 | 0.73 | NPSR1 (0.41) | NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115583946-A | Heterocyclic compounds and their use as CDK inhibitors | 赛诺哈勃药业（成都）有限公司 | 2023-01-10 | — | — | CN | disclosed |