Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14924779 | 0.86 | GAA (0.41) | CTSKALDH1A1CA12CA1CA2 | |
| SCHEMBL18787667 | 0.82 | CYP2D6 (0.36) | CTSKCA12CA1CA2CA14 | |
| SCHEMBL18787668 | 0.82 | CYP2D6 (0.36) | CTSKCA12CA1CA2CA14 | |
| SCHEMBL25499813 | 0.82 | AAK1 (0.34) | SMN1; SMN2MAPK1 | |
| SCHEMBL31485762 | 0.81 | CA2 (0.36) | CA12CA1CA2CA14 | |
| SCHEMBL7547874 | 0.78 | NAAA (0.37) | FAAHCTSKNAAAALDH1A1DNM1 | |
| SCHEMBL21294450 | 0.76 | AAK1 (0.35) | CTSKCA1CA2CA14 | |
| SCHEMBL21294449 | 0.76 | AAK1 (0.35) | CTSKCA1CA2CA14 | |
| SCHEMBL14924171 | 0.76 | HDAC6 (0.35) | CTSKCA12CA1CA2CA14 | |
| SCHEMBL16202113 | 0.76 | ALDH1A1 (0.37) | CTSKNAAAALDH1A1NPC1RAB9A |
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 |