Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 3/20 | 0.37 |
| ▸ | CDC25B | P30305 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4978926 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL11490745 | 0.80 | MAPT (0.46) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL8829493 | 0.77 | PGR (0.40) | ALDH1A1MAPTCDC25ACDC25BKDM4E | |
| SCHEMBL8829492 | 0.77 | PGR (0.40) | ALDH1A1MAPTCDC25ACDC25BKDM4E | |
| SCHEMBL14178915 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL29823851 | 0.71 | MAPT (0.48) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL819660 | 0.71 | MAPT (0.48) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL11494467 | 0.71 | SMN1; SMN2 (0.45) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| SCHEMBL11487996 | 0.69 | CA1 (0.40) | ALDH1A1MAPTITGA4CDC25ACDC25B | |
| Hydrochloric Acid SCHEMBL8478540 | 0.68 | PKM (0.39) | ALDH1A1CDC25BTDP1KMT2APKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | disclosed |