Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 7/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6421569 | 0.89 | ESR2 (0.55) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL27141410 | 0.85 | HDAC6 (0.58) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL986037 | 0.85 | ESR2 (0.54) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL23142234 | 0.84 | ESR2 (0.50) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL976244 | 0.84 | ADORA1 (0.55) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL4815544 | 0.84 | ESR2 (0.53) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL27081538 | 0.83 | HDAC6 (0.59) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL13593457 | 0.83 | ESR2 (0.52) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL27141188 | 0.83 | ESR2 (0.52) | ESR2NR1H2ADORA1HDAC6MAPT | |
| SCHEMBL13981293 | 0.83 | ESR2 (0.52) | ESR2NR1H2ADORA1HDAC6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7468371-B2 | Tricyclic pyrazole kinase inhibitors | ABBOTT LABORATORIES INC. (US) | 2008-12-23 | — | — | US | disclosed |