Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29675364 | 0.87 | HTR3E (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL18765485 | 0.87 | HTR3E (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29675453 | 0.86 | SHMT2 (0.47) | ALDH1A1ACACBCHRNA7MAPK1KDM4E | |
| SCHEMBL29675445 | 0.86 | ACACB (0.43) | ALDH1A1ACACBCHRNA7MAPK1KDM4E | |
| SCHEMBL29675442 | 0.85 | PRKCQ (0.46) | ACACBPRKCAPRKCQPRKCDMAPK1 | |
| SCHEMBL29675748 | 0.85 | PRKCQ (0.46) | ACACBPRKCAPRKCQPRKCDMAPK1 | |
| SCHEMBL29675721 | 0.83 | PIM2 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29675519 | 0.83 | MAPK1 (0.43) | ALDH1A1ACACBCHRNA7MAPK1KDM4E | |
| SCHEMBL29675686 | 0.83 | PIM2 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29675797 | 0.82 | ACACB (0.49) | ACACBMAPK1 |
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 |