Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.40 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL29676253 | 0.87 | MAPK1 (0.44) | NPC1MAPK1RAB9APARP1KDM4E | |
| SCHEMBL29676150 | 0.86 | NPC1 (0.44) | NPC1MAPK1RAB9ASHMT2HSD17B14 | |
| SCHEMBL23343788 | 0.80 | MAPK1 (0.45) | NPC1MAPK1RAB9AHSD17B14KDM4E | |
| SCHEMBL29676238 | 0.77 | MAPK1 (0.44) | NPC1MAPK1RAB9AHRH4HTR3A | |
| SCHEMBL29675386 | 0.75 | NPC1 (0.44) | NPC1MAPK1RAB9APARP1KDM4E | |
| SCHEMBL29675656 | 0.75 | SHMT2 (0.46) | MAPK1RAB9ASHMT2KDM4EALDH1A1 | |
| SCHEMBL29675688 | 0.74 | MAPK1 (0.46) | NPC1MAPK1RAB9AHRH4HRH3 | |
| SCHEMBL23343854 | 0.70 | MAPK1 (0.40) | NPC1MAPK1RAB9AALDH1A1TP53 | |
| SCHEMBL18765485 | 0.70 | HTR3E (0.46) | NPC1MAPK1RAB9AHRH4HTR3A | |
| SCHEMBL29675364 | 0.70 | HTR3E (0.46) | NPC1MAPK1RAB9AHRH4HTR3A |
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 |