Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.48 |
| ▸ | PTGIR | P43119 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562128 | 1.00 | GAA (0.56) | GAASIGMAR1CMA1GRM2PTGIR | |
| SCHEMBL2016909 | 0.90 | GAA (0.49) | GAASIGMAR1CMA1GRM2PTGIR | |
| SCHEMBL16423951 | 0.84 | GAA (0.51) | GAASIGMAR1CMA1GRM2PTGIR | |
| SCHEMBL8562278 | 0.83 | SIGMAR1 (0.55) | GAASIGMAR1CMA1HRH3ALDH1A1 | |
| SCHEMBL8562273 | 0.83 | SIGMAR1 (0.55) | GAASIGMAR1CMA1HRH3ALDH1A1 | |
| SCHEMBL16874550 | 0.83 | KCNH2 (0.51) | SMN1; SMN2LMNA | |
| SCHEMBL16885924 | 0.82 | GRM2 (0.43) | GRM2POLBALDH1A1 | |
| SCHEMBL1542776 | 0.81 | ALDH1A1 (0.49) | SIGMAR1GRM2ALDH1A1 | |
| SCHEMBL4510850 | 0.81 | GAA (0.48) | GAACMA1GRM2PTGIRMMP1 | |
| SCHEMBL8564961 | 0.80 | ALDH1A1 (0.53) | POLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |