Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26695870 | 0.85 | HSP90AA1 (0.38) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL11813334 | 0.82 | CYP2D6 (0.41) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL2894352 | 0.80 | HSP90AA1 (0.40) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL5669611 | 0.80 | P2RX7 (0.43) | HSP90AA1P2RX7CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL3717839 | 0.78 | HSP90AA1 (0.39) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL28804110 | 0.77 | HSP90AA1 (0.32) | HSP90AA1 | |
| SCHEMBL16150460 | 0.74 | P2RX7 (0.42) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL3224199 | 0.73 | HRH1 (0.45) | HRH1 | |
| SCHEMBL3718708 | 0.72 | — | — | |
| SCHEMBL28864538 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |