Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.37 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7383642 | 0.79 | SCN2A (0.49) | HSP90AA1HSP90AB1NUDT1DYRK1AAGPAT2 | |
| SCHEMBL7378096 | 0.76 | DYRK1A (0.47) | HSP90AA1HSP90AB1DYRK1ASLC9A1KDM4E | |
| SCHEMBL7382138 | 0.74 | NUDT1 (0.66) | HSP90AA1HSP90AB1NUDT1 | |
| SCHEMBL1503430 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL7375654 | 0.73 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1NUDT1KDM4E | |
| SCHEMBL7380404 | 0.71 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1AGPAT2KDM4EHTR2B | |
| SCHEMBL7375010 | 0.68 | SCN2A (0.33) | HSP90AA1HSP90AB1 | |
| SCHEMBL17325860 | 0.68 | NUDT1 (0.51) | HSP90AA1HSP90AB1NUDT1DYRK1AAGPAT2 | |
| SCHEMBL18672484 | 0.68 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1NUDT1DYRK1A | |
| SCHEMBL7279386 | 0.67 | DHFR (0.53) | — |
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-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |