Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29676379 | 0.85 | MAPK1 (0.38) | NPSR1ACACBHRH3ACACA | |
| SCHEMBL23666724 | 0.82 | RAB9A (0.43) | IKBKBACACBALDH1A1ACACA | |
| SCHEMBL17349929 | 0.80 | CCR1 (0.35) | NPSR1HRH3 | |
| SCHEMBL2784760 | 0.78 | STAT3 (0.40) | IKBKBACACBACACA | |
| SCHEMBL29675906 | 0.78 | ACACB (0.47) | NPSR1IKBKBACACBALDH1A1ACACA | |
| SCHEMBL12344319 | 0.76 | IKBKB (0.38) | IKBKBACACBACACA | |
| SCHEMBL4047127 | 0.76 | GABRA1 (0.42) | NPSR1HRH3 | |
| SCHEMBL31592656 | 0.75 | ROCK2 (0.53) | ACACBMTNR1AMTNR1BACACA | |
| SCHEMBL29676696 | 0.75 | ROCK2 (0.53) | ACACBMTNR1AMTNR1BACACA | |
| SCHEMBL29676186 | 0.75 | ACACB (0.48) | IKBKBACACBALDH1A1ACACA |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |