Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.44 |
| ▸ | CDK4 | P11802 | 4/20 | 0.36 |
| ▸ | CCND1 | P24385 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150085 | 0.85 | HSP90AB1 (0.48) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL10150690 | 0.79 | HSP90AB1 (0.52) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL10150021 | 0.79 | HSP90AB1 (0.70) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL10150018 | 0.79 | HSP90AB1 (0.70) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL19418251 | 0.77 | HSP90AB1 (0.57) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL10150022 | 0.77 | HSP90AB1 (0.47) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL19418043 | 0.76 | HSP90AB1 (0.42) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL13049717 | 0.73 | HSP90AB1 (0.52) | HSP90AB1CDK4CCND1MAPTMEN1 | |
| SCHEMBL19418317 | 0.71 | HSP90AB1 (0.56) | HSP90AB1CDK4CCND1MAPTCYP3A4 | |
| SCHEMBL10150867 | 0.70 | HSP90AB1 (0.58) | HSP90AB1CDK4CCND1MAPTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |