Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 4/20 | 0.46 |
| ▸ | CASP3 | P42574 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | NMT2 | O60551 | 4/20 | 0.42 |
| ▸ | NMT1 | P30419 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7283321 | 0.78 | CASP3 (0.46) | ADAMTS4ADAMTS5CTSBCASP3ALDH1A1 | |
| SCHEMBL15000456 | 0.72 | CASP3 (0.50) | CASP3OGG1CASP1CASP7CASP8 | |
| SCHEMBL3455006 | 0.68 | ALDH1A1 (0.68) | ADAMTS4ADAMTS5ALDH1A1OGG1 | |
| SCHEMBL14598414 | 0.67 | CASP3 (0.57) | CASP3CASP1CASP8CASP6 | |
| Hydrochloric Acid SCHEMBL9811689 | 0.67 | OGG1 (0.63) | ADAMTS4ADAMTS5ALDH1A1OGG1 | |
| SCHEMBL7648460 | 0.66 | C3AR1 (0.53) | ADAMTS4ADAMTS5CASP3ALDH1A1OGG1 | |
| SCHEMBL7648470 | 0.66 | C3AR1 (0.53) | ADAMTS4ADAMTS5CASP3ALDH1A1OGG1 | |
| SCHEMBL8544596 | 0.66 | OGG1 (0.60) | ADAMTS5CASP3ALDH1A1OGG1CASP1 | |
| SCHEMBL8544589 | 0.66 | OGG1 (0.60) | ADAMTS5CASP3ALDH1A1OGG1CASP1 | |
| SCHEMBL10606242 | 0.66 | ALDH1A1 (0.58) | ADAMTS5CASP3ALDH1A1OGG1CASP1 |
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-0209848-A2 | Enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | claimed |
| EP-0209848-A2 | Enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |