Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 8/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CD74 | P04233 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29908470 | 0.81 | NOTUM (0.42) | NOTUMRIPK1LTA4HNR3C2 | |
| SCHEMBL29908423 | 0.78 | NR3C2 (0.39) | RIPK1LTA4HNR3C2ALDH1A1LMNA | |
| SCHEMBL22573977 | 0.77 | NOTUM (0.47) | PARP1NOTUMLTA4HALDH1A1 | |
| SCHEMBL29908490 | 0.75 | RIPK1 (0.38) | RIPK1LTA4HNR3C2 | |
| SCHEMBL4716719 | 0.74 | CD74 (0.40) | NR3C2HTR2AHTR2CHTR2BCD74 | |
| SCHEMBL16923383 | 0.72 | PARP1 (0.35) | PARP1NOTUM | |
| SCHEMBL21806848 | 0.71 | MEN1 (0.48) | LTA4HHTR2AHTR2CHTR2B | |
| SCHEMBL21807029 | 0.71 | MEN1 (0.48) | LTA4HHTR2AHTR2CHTR2B | |
| SCHEMBL21807075 | 0.71 | MEN1 (0.48) | LTA4HHTR2AHTR2CHTR2B | |
| SCHEMBL4790977 | 0.70 | CD74 (0.43) | NR3C2CD74CTSSALDH1A1 |
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-115028649-A | Tricyclic compound, pharmaceutical composition containing same and use thereof | 四川科伦博泰生物医药股份有限公司 | 2022-09-09 | — | — | CN | disclosed |