Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 6/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21438976 | 0.86 | PDK1 (0.48) | AOC3BRD4CNR2CYP1A2CYP2D6 | |
| SCHEMBL21545173 | 0.85 | BRD4 (0.47) | BRD4CYP1A2CYP2D6 | |
| SCHEMBL21438953 | 0.80 | CFD (0.47) | AOC3BRD4CNR2CYP1A2CYP2D6 | |
| SCHEMBL21438491 | 0.79 | BRD4 (0.40) | BRD4CNR2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21438911 | 0.73 | BRD4 (0.47) | BRD4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21455897 | 0.72 | BRD4 (0.47) | BRD4CYP1A2CYP2D6PDK1 | |
| SCHEMBL16396868 | 0.71 | AOC3 (0.58) | AOC3CNR2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21438042 | 0.71 | AVPR1B (0.39) | — | |
| SCHEMBL16396753 | 0.68 | AOC3 (0.45) | AOC3CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL3368486 | 0.67 | TSHR (0.59) | AOC3CYP1A2CYP2D6CYP2C9TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3687506-A1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019195720-A1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2019-10-10 | — | — | WO | disclosed |