Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7898110 | 0.77 | CA2 (0.55) | CA2HTTGAAAPPBACE1 | |
| SCHEMBL28145858 | 0.77 | ESR1 (0.59) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL16471396 | 0.74 | MAPT (0.50) | ESR1ESR2CA2GAAAPP | |
| SCHEMBL4283955 | 0.74 | MAPT (0.45) | CA2HTTAPPBACE1CYP1A2 | |
| SCHEMBL5241572 | 0.74 | ESR2 (0.58) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL17001366 | 0.74 | GFER (0.50) | CA2APPBACE1CYP1A2 | |
| SCHEMBL10369249 | 0.74 | ESR1 (0.55) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL11886144 | 0.74 | CA2 (0.42) | CA2APPBACE1CA12CA4 | |
| SCHEMBL5239964 | 0.74 | ESR1 (0.53) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL10370704 | 0.74 | ESR1 (0.50) | ESR1ESR2CA2HTTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7253204-B2 | Antiproliferative agents | METHYLGENE INC. (CA) | 2007-08-07 | — | — | US | disclosed |
| US-7253204-B2 | Antiproliferative agents | METHYLGENE INC. (CA) | 2007-08-07 | — | — | US | disclosed |
| EP-1670804-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC Biotech AG (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005023818-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC BIOTECH AG (DE) | 2005-03-17 | — | — | WO | disclosed |