Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL153211 | 0.79 | AHR (0.45) | PARP1CYP2A6NR3C1PGRNR3C2 | |
| SCHEMBL8011587 | 0.79 | PARP1 (0.37) | PARP1CYP2A6NR3C1PGRNR3C2 | |
| SCHEMBL13021641 | 0.76 | PARP1 (0.40) | PARP1CYP2A6PTGS1PTGS2 | |
| SCHEMBL2464027 | 0.76 | PARP1 (0.39) | PARP1CYP2A6NR3C1PGRNR3C2 | |
| SCHEMBL16004982 | 0.76 | PARP1 (0.54) | PARP1NR3C1PGRNR3C2NPSR1 | |
| SCHEMBL12330400 | 0.76 | NOTUM (0.36) | PARP1CYP2A6NR3C1PGRNR3C2 | |
| SCHEMBL23714719 | 0.76 | PARP1 (0.42) | PARP1CYP2A6NR3C1PGRNR3C2 | |
| SCHEMBL24750128 | 0.76 | AKT1 (0.40) | PARP1PTGS2NPSR1RIPK1 | |
| SCHEMBL8118010 | 0.76 | GAA (0.39) | PARP1 | |
| SCHEMBL18509016 | 0.76 | SELL (0.39) | PARP1CYP2A6NR3C1PGRNR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939658-A1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2022-01-19 | — | — | EP | disclosed |