Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CCL2 | P13500 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28859386 | 0.80 | ALDH1A1 (0.39) | BRD4CCL2HTR6ALDH1A1MAPT | |
| SCHEMBL16245516 | 0.71 | BRD4 (0.38) | BRD4CCL2HTR2AHTR6ALDH1A1 | |
| SCHEMBL9200539 | 0.67 | HTR2A (0.33) | BRD4CCL2HTR2A | |
| SCHEMBL28565280 | 0.66 | SMN1; SMN2 (0.34) | BRD4CCL2ALDH1A1MAPT | |
| SCHEMBL2874068 | 0.64 | HTR2A (0.37) | BRD4CCL2HTR2AHTR6ALDH1A1 | |
| SCHEMBL10688105 | 0.62 | BRD4 (0.46) | BRD4CCL2HTR2AALDH1A1MAPT | |
| SCHEMBL6972923 | 0.62 | HTR2A (0.45) | BRD4CCL2HTR2AHTR6ALDH1A1 | |
| SCHEMBL7551620 | 0.61 | BRD4 (0.49) | BRD4CCL2HTR2AHTR6ALDH1A1 | |
| SCHEMBL28374476 | 0.61 | BRD4 (0.41) | BRD4CCL2HTR2AALDH1A1MAPT | |
| SCHEMBL10525335 | 0.61 | BRD4 (0.41) | BRD4CCL2HTR2AALDH1A1MAPT |
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-102482234-B | Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation | OTSUKA PHARMACEUTICAL CO.,LTD. (JP) | 2016-04-13 | — | — | CN | disclosed |