Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP1 | P63208 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24185654 | 0.88 | EPHX2 (0.52) | PARP1NAMPTCFTRUSP30CYP2C9 | |
| SCHEMBL31267093 | 0.87 | NAMPT (0.57) | PARP1NAMPTHDAC3HDAC1HDAC2 | |
| SCHEMBL31267054 | 0.87 | NAMPT (0.57) | PARP1NAMPTHDAC3HDAC1HDAC2 | |
| SCHEMBL14731460 | 0.82 | ADORA2A (0.55) | PARP1NAMPTCFTRUSP30CYP2C9 | |
| SCHEMBL4616966 | 0.81 | EPHX2 (0.59) | PARP1NAMPTCFTRBTKAKT1 | |
| SCHEMBL1995443 | 0.81 | MAP4K4 (0.51) | HDAC3HDAC1HDAC2BTKCTSK | |
| SCHEMBL30316309 | 0.81 | MAP4K4 (0.51) | HDAC3HDAC1HDAC2BTKCTSK | |
| SCHEMBL24185784 | 0.81 | NAMPT (0.56) | PARP1NAMPTHDAC3HDAC1HDAC2 | |
| SCHEMBL24185232 | 0.81 | NAMPT (0.56) | PARP1NAMPTHDAC3HDAC1HDAC2 | |
| SCHEMBL24185215 | 0.81 | NAMPT (0.56) | PARP1NAMPTHDAC3HDAC1HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |