Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 9/20 | 0.40 |
| ▸ | DRD4 | P21917 | 9/20 | 0.40 |
| ▸ | HTR1A | P08908 | 8/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12090447 | 0.83 | MAP4K4 (0.50) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL23114442 | 0.83 | MAP4K4 (0.50) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL17896370 | 0.82 | DRD2 (0.49) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL2757250 | 0.78 | CCR1 (0.48) | MAP4K4DRD2DRD4HTR1ACNR2 | |
| SCHEMBL15087991 | 0.78 | CCR1 (0.48) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL8056158 | 0.77 | DRD2 (0.50) | MAP4K4DRD2DRD4HTR1ACNR2 | |
| SCHEMBL171619 | 0.76 | PDE2A (0.55) | MAP4K4DRD2DRD4KCNH2PDE2A | |
| SCHEMBL1610517 | 0.74 | CCR1 (0.52) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL20139964 | 0.74 | KDM5A (0.58) | MAP4K4KDM5ADRD2DRD4HTR1A | |
| SCHEMBL17888476 | 0.72 | DRD2 (0.53) | MAP4K4KDM5ADRD2DRD4HTR1A |
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-2855459-B1 | AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-04-29 | — | — | EP | disclosed |