Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL488629 | 0.90 | SMN1; SMN2 (0.38) | ROCK1PARP1CA1CA2CA9 | |
| SCHEMBL488906 | 0.88 | CA1 (0.46) | ROCK1PARP1CA1CA2CA9 | |
| SCHEMBL488274 | 0.86 | SRC (0.44) | PARP1CA1CA2CA9SRC | |
| SCHEMBL488893 | 0.85 | SRC (0.44) | CA1CA2CA9SRCCA12 | |
| SCHEMBL488233 | 0.84 | MEN1 (0.40) | CA1CA2CA9SRCCA12 | |
| SCHEMBL488765 | 0.83 | KDM1A (0.40) | PARP1CA1CA2CA9SRC | |
| SCHEMBL488764 | 0.80 | CYP2D6 (0.38) | CA1CA2CA9SRCCA12 | |
| SCHEMBL488793 | 0.78 | CA1 (0.48) | PARP1CA1CA2CA9CA12 | |
| SCHEMBL488724 | 0.77 | PARP1 (0.37) | PARP1CA1CA2CA9CA12 | |
| SCHEMBL2508131 | 0.76 | LPL (0.48) | 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 |