Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 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 | |
|---|---|---|---|---|
| SCHEMBL31368749 | 0.80 | ALDH1A1 (0.36) | ALDH1A1NPSR1TDP1KHK | |
| SCHEMBL23751820 | 0.77 | TDP1 (0.32) | ALDH1A1NPSR1TDP1KHK | |
| SCHEMBL31368737 | 0.77 | KDM4E (0.36) | ALDH1A1NPSR1TDP1KHK | |
| SCHEMBL26894608 | 0.77 | KHK (0.37) | ALDH1A1NPSR1TDP1KHK | |
| Hydrochloric Acid SCHEMBL26697676 | 0.76 | KHK (0.36) | ALDH1A1NPSR1TDP1KHK | |
| SCHEMBL31729263 | 0.73 | MAPK1 (0.39) | ALDH1A1 | |
| SCHEMBL31728189 | 0.73 | MAPK1 (0.39) | ALDH1A1 | |
| SCHEMBL17841740 | 0.72 | KHK (0.35) | ALDH1A1NPSR1TDP1KHK | |
| SCHEMBL26697721 | 0.72 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL24424954 | 0.71 | KDM4E (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020119606-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |
| WO-2020119606-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |