Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 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 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL488959 | 0.88 | CA1 (0.46) | PARP1TERTSPHK1CA1CA2 | |
| SCHEMBL488274 | 0.82 | SRC (0.44) | PARP1CA1CA2CA9CA12 | |
| SCHEMBL488765 | 0.82 | KDM1A (0.40) | PARP1TERTCA1CA2CA9 | |
| SCHEMBL488893 | 0.81 | SRC (0.44) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488764 | 0.80 | CYP2D6 (0.38) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488233 | 0.78 | MEN1 (0.40) | CA1CA2CA9CA12CA3 | |
| SCHEMBL2508131 | 0.78 | LPL (0.48) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488672 | 0.77 | ROCK1 (0.36) | PARP1CA1CA2CA9CA12 | |
| SCHEMBL488629 | 0.77 | SMN1; SMN2 (0.38) | PARP1CA1CA2CA9CA12 | |
| SCHEMBL488841 | 0.76 | CA1 (0.38) | 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 |