Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 8/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439922 | 0.87 | PARP1 (0.34) | ADORA1PARP1HCAR2NFKB1NFKB2 | |
| SCHEMBL16295817 | 0.77 | PARP1 (0.37) | PARP1HCAR2MEN1KMT2ANR1H2 | |
| SCHEMBL2925417 | 0.70 | PARP1 (0.43) | PARP1SRCMEN1KMT2ANR1H2 | |
| SCHEMBL6211912 | 0.68 | KMT2A (0.38) | PARP1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL24894252 | 0.67 | KMT2A (0.37) | NFKB1NFKB2RELAMEN1KMT2A | |
| SCHEMBL1326298 | 0.67 | NFKB1 (0.40) | ADORA1NFKB1NFKB2RELAMEN1 | |
| SCHEMBL6208740 | 0.67 | HCAR2 (0.35) | HCAR2MEN1KMT2AALDH1A1 | |
| SCHEMBL30185963 | 0.67 | NFKB1 (0.41) | ADORA1NFKB1NFKB2RELAMEN1 | |
| SCHEMBL22615315 | 0.67 | ADORA1 (0.36) | ADORA1PARP1HCAR2MEN1KMT2A | |
| SCHEMBL22746961 | 0.67 | HSD17B10 (0.38) | ADORA1PARP1MEN1KMT2AALDH1A1 |
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-1527074-A1 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004013144-A1 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2004-02-12 | — | — | WO | disclosed |