Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.46 |
| ▸ | CA2 | P00918 | 13/20 | 0.46 |
| ▸ | CA9 | Q16790 | 13/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL488793 | 0.90 | CA1 (0.48) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488672 | 0.88 | ROCK1 (0.36) | CA1CA2CA9CA12CA3 | |
| SCHEMBL1601710 | 0.86 | CA1 (0.53) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488897 | 0.85 | CA1 (0.54) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488908 | 0.84 | CA1 (0.53) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488839 | 0.83 | CA1 (0.52) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488876 | 0.82 | CA1 (0.49) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488842 | 0.78 | CA1 (0.47) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488629 | 0.78 | SMN1; SMN2 (0.38) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488959 | 0.76 | CA1 (0.46) | CA1CA2CA9CA12CA3 |
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-8106197-B2 | Aminoheteroaryl compounds as protein kinase inhibitors | PFIZER INC. (US) | 2012-01-31 | — | — | US | disclosed |