Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 3/20 | 0.43 |
| ▸ | BCL6 | P41182 | 6/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.38 |
| ▸ | MLNR | O43193 | 2/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016338 | 1.00 | PTPN11 (0.43) | PTPN11BCL6KDM1ARBP4MLNR | |
| SCHEMBL6016374 | 0.90 | PTPN11 (0.47) | PTPN11BCL6RBP4PDE10A | |
| SCHEMBL6016377 | 0.90 | PTPN11 (0.47) | PTPN11BCL6RBP4PDE10A | |
| SCHEMBL4125562 | 0.85 | PTPN11 (0.40) | PTPN11BCL6RBP4NCOR2WDR5 | |
| SCHEMBL4125560 | 0.85 | PTPN11 (0.40) | PTPN11BCL6RBP4NCOR2WDR5 | |
| SCHEMBL4126105 | 0.82 | PTPN11 (0.43) | PTPN11BCL6RBP4NCOR2 | |
| SCHEMBL4126108 | 0.82 | PTPN11 (0.43) | PTPN11BCL6RBP4NCOR2 | |
| SCHEMBL4112958 | 0.80 | ALDH1A1 (0.53) | — | |
| SCHEMBL4112334 | 0.80 | ALDH1A1 (0.54) | — | |
| Piperazine SCHEMBL6016590 | 0.79 | ALDH1A1 (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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |