Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 19/20 | 0.38 |
| ▸ | NOS1 | P29475 | 19/20 | 0.38 |
| ▸ | NOS2 | P35228 | 19/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24904333 | 0.81 | NOS3 (0.41) | NOS3NOS1NOS2CYP1A2CYP2C19 | |
| SCHEMBL3719267 | 0.72 | — | — | |
| SCHEMBL21395060 | 0.70 | — | — | |
| SCHEMBL23569115 | 0.70 | — | — | |
| SCHEMBL14508108 | 0.70 | — | — | |
| SCHEMBL13479936 | 0.67 | — | — | |
| SCHEMBL15039606 | 0.67 | — | — | |
| SCHEMBL23510537 | 0.67 | — | — | |
| SCHEMBL21394892 | 0.65 | — | — | |
| Bromide SCHEMBL7609922 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021114314-A1 | NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES | TONGJI UNIVERSITY (CN) | 2021-06-17 | — | — | WO | disclosed |