Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 2/20 | 0.37 |
| ▸ | EDNRA | P25101 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2497291 | 0.87 | ATM (0.41) | ATMHSD17B2CA1CA2CA4 | |
| SCHEMBL3629915 | 0.81 | ATM (0.41) | ATMHSD17B2EGFRERBB2GAA | |
| SCHEMBL8778753 | 0.78 | PSIP1 (0.50) | ATMCA1CA2L3MBTL1MMP2 | |
| SCHEMBL1271030 | 0.77 | HSD17B2 (0.42) | ATMHSD17B2CA1CA2CA9 | |
| SCHEMBL17396995 | 0.77 | ATM (0.40) | ATMHSD17B2CA1CA2EGFR | |
| SCHEMBL99072 | 0.74 | PSIP1 (0.56) | ATMHSD17B2EGFRERBB2GAA | |
| SCHEMBL3505980 | 0.74 | ATM (0.41) | ATMHSD17B2EGFRERBB2KAT6A | |
| SCHEMBL27620000 | 0.74 | HSD17B2 (0.40) | ATMHSD17B2KAT6ABRD4WDR5 | |
| SCHEMBL30633545 | 0.73 | ATM (0.43) | ATMHSD17B2CA1CA2CA4 | |
| SCHEMBL15288833 | 0.72 | ALDH1A1 (0.37) | — |
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-2010059627-A1 | POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS | WYETH LLC (US) | 2010-05-27 | — | — | WO | disclosed |