Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.39 |
| ▸ | CA2 | P00918 | 11/20 | 0.39 |
| ▸ | CA9 | Q16790 | 11/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL488684 | 0.82 | CA1 (0.42) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488838 | 0.81 | CA1 (0.59) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15648519 | 0.79 | CA1 (0.46) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15091821 | 0.73 | CA1 (0.42) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488456 | 0.73 | LIPG (0.41) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488760 | 0.72 | CA1 (0.57) | CA1CA2CA9CA12CA3 | |
| SCHEMBL21630366 | 0.72 | CA1 (0.41) | CA1CA2CA9CA12CA3 | |
| SCHEMBL21630389 | 0.72 | CA1 (0.41) | CA1CA2CA9CA12CA3 | |
| SCHEMBL8067182 | 0.72 | CA1 (0.37) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15649508 | 0.71 | CA1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2014124757-A1 | PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2014-08-21 | — | — | WO | disclosed |