Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9427619 | 0.82 | ESPL1 (0.40) | ALDH1A1SMN1; SMN2HCAR3GAAKDM4E | |
| SCHEMBL15248395 | 0.77 | HCAR3 (0.45) | ALDH1A1SMN1; SMN2HCAR3GAAKDM4E | |
| SCHEMBL9847872 | 0.76 | GPR174 (0.37) | ALDH1A1SMN1; SMN2SLC6A4HCAR3VCAM1 | |
| SCHEMBL9303493 | 0.76 | LMNA (0.60) | ALDH1A1SMN1; SMN2GAAMEN1MAPT | |
| SCHEMBL9301332 | 0.75 | MAPT (0.64) | ALDH1A1SMN1; SMN2GAAHTTMEN1 | |
| SCHEMBL4706313 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HCAR3VCAM1GAA | |
| SCHEMBL4706308 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HCAR3VCAM1GAA | |
| SCHEMBL31208163 | 0.74 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2SLC6A4HCAR3VCAM1 | |
| SCHEMBL7545601 | 0.73 | ALDH3A1 (0.46) | ALDH1A1SMN1; SMN2SLC6A4HCAR3VCAM1 | |
| SCHEMBL10686076 | 0.72 | HTT (0.55) | ALDH1A1HCAR3GAAHPGDKDM4E |
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-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |