Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.50 |
| ▸ | CA1 | P00915 | 15/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9612082 | 0.85 | CA2 (0.62) | CA2CA1CA9CA12MAPT | |
| SCHEMBL9353883 | 0.79 | TSHR (0.53) | CA2CA1CA9CA12MAPT | |
| SCHEMBL27785864 | 0.71 | ALDH1A1 (0.45) | CA2CA1CA9CA12MAPT | |
| SCHEMBL3123627 | 0.70 | IDO1 (0.61) | MAPTPOLBKMT2A | |
| SCHEMBL9612055 | 0.69 | CA1 (0.52) | CA2CA1CA9CA12 | |
| SCHEMBL361047 | 0.68 | CA1 (0.64) | CA2CA1CA9CA12MAPT | |
| SCHEMBL359584 | 0.67 | CA2 (0.64) | CA2CA1CA9CA12MAPT | |
| SCHEMBL1395590 | 0.67 | CA1 (1.00) | CA2CA1CA9CA12MAPT | |
| SCHEMBL10915639 | 0.66 | HTR6 (0.51) | CA2CA1MAPTKMT2A | |
| SCHEMBL7616638 | 0.66 | CA1 (0.74) | CA2CA1CA9CA12MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2056829-B9 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2056829-B1 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-01-04 | — | — | EP | disclosed |