Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | FOS | P01100 | 4/20 | 0.58 |
| ▸ | JUN | P05412 | 4/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.58 |
| ▸ | RELA | Q04206 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11283968 | 0.91 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11289243 | 0.90 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11158474 | 0.90 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11279208 | 0.89 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11284240 | 0.89 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11285512 | 0.88 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11279365 | 0.87 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11280175 | 0.87 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11160276 | 0.86 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11279014 | 0.85 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 |
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-4311700-A | ANTIULCER, GASTROINTESTINAL DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-01-19 | — | — | US | disclosed |
| EP-0024582-A1 | Benzodiazepinones, process for their preparation and pharmaceutical compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1981-03-11 | — | — | EP | disclosed |