Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL333882 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL17293168 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL21030730 | 0.79 | MALT1 (0.46) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL21030631 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL17293038 | 0.77 | MALT1 (0.42) | ALDH1A1MAPTMALT1COMT | |
| SCHEMBL18820154 | 0.76 | MALT1 (0.42) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL21858874 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL30725463 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL29174633 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MAPTMALT1COMTS1PR1 | |
| SCHEMBL20667452 | 0.67 | ADORA2A (0.61) | ALDH1A1MAPTMALT1S1PR1KCNH2 |
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-3149001-A1 | NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS | Novartis AG (CH) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015181747-A1 | NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS | NOVARTIS AG (CH) | 2015-12-03 | — | — | WO | disclosed |