Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 20/20 | 0.51 |
| ▸ | HTR2A | P28223 | 20/20 | 0.51 |
| ▸ | DRD3 | P35462 | 20/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12505634 | 0.87 | DRD2 (0.52) | DRD2HTR2ADRD3 | |
| SCHEMBL10161622 | 0.87 | DRD2 (0.52) | DRD2HTR2ADRD3 | |
| Hydrochloric Acid SCHEMBL321674 | 0.86 | DRD2 (0.51) | DRD2HTR2ADRD3 | |
| Hydrochloric Acid SCHEMBL322307 | 0.86 | DRD2 (0.51) | DRD2HTR2ADRD3 | |
| SCHEMBL321997 | 0.86 | DRD2 (0.50) | DRD2HTR2ADRD3 | |
| SCHEMBL12505630 | 0.84 | DRD2 (0.58) | DRD2HTR2ADRD3 | |
| SCHEMBL16411902 | 0.84 | DRD2 (0.58) | DRD2HTR2ADRD3 | |
| SCHEMBL1394209 | 0.82 | DRD2 (0.75) | DRD2HTR2ADRD3 | |
| SCHEMBL1394281 | 0.82 | DRD2 (0.75) | DRD2HTR2ADRD3 | |
| SCHEMBL321720 | 0.82 | DRD2 (0.75) | DRD2HTR2ADRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590984-A1 | ANELLATED PYRIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-15 | — | — | EP | claimed |
| WO-2012004206-A1 | ANELLATED PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | WO | claimed |
| EP-2590984-A1 | ANELLATED PYRIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004206-A1 | ANELLATED PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | WO | disclosed |