Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 9/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL11559242 | 0.77 | ULK1 (0.54) | ULK1 | |
| SCHEMBL2098339 | 0.67 | CA9 (0.40) | MAPK14CYP3A4 | |
| SCHEMBL2449624 | 0.63 | ALDH1A1 (0.37) | CYP2D6 | |
| SCHEMBL11559669 | 0.61 | ULK1 (0.51) | ULK1 | |
| Hydrochloric Acid SCHEMBL3456414 | 0.58 | PTK2 (0.30) | — | |
| SCHEMBL11557211 | 0.57 | SYK (0.50) | MAPK14BACE1BACE2 | |
| SCHEMBL6737529 | 0.57 | — | — | |
| SCHEMBL11816254 | 0.57 | AHR (0.43) | CYP3A4 | |
| SCHEMBL90928 | 0.57 | MMP12 (0.34) | — | |
| SCHEMBL7158984 | 0.57 | LMNA (0.50) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4144341-A | ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |