Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
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 SCHEMBL9604696 | 0.99 | ALDH1A1 (0.59) | ALDH1A1CHRM1SLC6A4SLC6A3TDP1 | |
| Febuverine SCHEMBL2110466 | 0.89 | ALDH1A1 (0.56) | ALDH1A1CHRM1SLC6A4SLC6A3TDP1 | |
| Febuverine SCHEMBL9588720 | 0.87 | ALDH1A1 (0.58) | ALDH1A1CHRM1SLC6A4SLC6A3TDP1 | |
| SCHEMBL9588721 | 0.85 | MEN1 (0.54) | ALDH1A1CHRM1SLC6A4SLC6A3TDP1 | |
| SCHEMBL22323042 | 0.82 | ALDH1A1 (0.62) | ALDH1A1 | |
| SCHEMBL9589619 | 0.81 | GAA (0.52) | ALDH1A1GAA | |
| Maleic Acid SCHEMBL9587369 | 0.80 | MEN1 (0.49) | ALDH1A1CHRM1GAA | |
| SCHEMBL9588632 | 0.80 | PAX8 (0.47) | ALDH1A1SLC6A4KCNQ2 | |
| SCHEMBL2293067 | 0.80 | NPC1 (0.55) | ALDH1A1CHRM1TDP1 | |
| Hydrochloric Acid SCHEMBL9604865 | 0.80 | GAA (0.51) | ALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | claimed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | claimed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |