Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CCKAR | P32238 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484833 | 0.85 | NOTUM (0.56) | NOTUMCYP19A1CYP1A1ELOVL1HTT | |
| SCHEMBL17984479 | 0.83 | NOTUM (0.48) | NOTUMCYP19A1MAPK1CYP1A1ALDH1A1 | |
| SCHEMBL2387626 | 0.80 | NOTUM (0.56) | NOTUMCYP19A1MAPK1ALDH1A1 | |
| SCHEMBL9756479 | 0.77 | NOTUM (0.66) | NOTUMCYP19A1ALDH1A1ELOVL1GAA | |
| SCHEMBL29211037 | 0.72 | ESR1 (0.51) | ALDH1A1MAPTGAAHTT | |
| SCHEMBL2016945 | 0.71 | CYP2C19 (0.52) | MAPK1ALDH1A1GLS | |
| SCHEMBL7336731 | 0.71 | NOTUM (0.46) | NOTUMCYP19A1MAPK1 | |
| SCHEMBL25201694 | 0.70 | L3MBTL1 (0.42) | ALDH1A1MAPTGAAHTT | |
| SCHEMBL30387958 | 0.70 | L3MBTL1 (0.42) | ALDH1A1MAPTGAAHTT | |
| SCHEMBL27751247 | 0.70 | AKR1C3 (0.54) | MAPTGAAHTT |
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-2035396-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2007139967-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2007-12-06 | — | — | WO | claimed |