Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CDC25A | P30304 | 4/20 | 0.45 |
| ▸ | CDC25B | P30305 | 4/20 | 0.45 |
| ▸ | CDC25C | P30307 | 4/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 4/20 | 0.45 |
| ▸ | DVL1 | O14640 | 1/20 | 0.43 |
| ▸ | EIF4E | P06730 | 4/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9057948 | 0.84 | DVL1 (0.56) | ALDH1A1KDM4EHPGDCDC25ACDC25B | |
| SCHEMBL9053434 | 0.75 | EIF4E (0.39) | ALDH1A1KDM4EHPGDDVL1EIF4E | |
| SCHEMBL9058459 | 0.75 | DVL1 (0.39) | ALDH1A1KDM4EHPGDCDC25ACDC25B | |
| SCHEMBL9055061 | 0.70 | S1PR1 (0.48) | DVL1 | |
| Hydrochloric Acid SCHEMBL6197849 | 0.67 | MAPT (0.54) | ALDH1A1GAAKDM4EHPGDMAPT | |
| SCHEMBL6197398 | 0.67 | CDC25A (0.49) | ALDH1A1GAAKDM4EHPGDCDC25A | |
| SCHEMBL9057943 | 0.67 | DVL1 (0.50) | DVL1RAB9A | |
| SCHEMBL6198667 | 0.67 | ALDH1A1 (0.72) | ALDH1A1GAAKDM4EHPGDMAPT | |
| Hydrochloric Acid SCHEMBL9057996 | 0.66 | DVL1 (0.45) | DVL1 | |
| Hydrochloric Acid SCHEMBL9062779 | 0.66 | DVL1 (0.49) | DVL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |