Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 13/20 | 0.65 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | CYBB | P04839 | 1/20 | 0.47 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.47 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.47 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.47 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | C1S | P09871 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7807039 | 0.99 | DHFR (0.64) | DHFRHTR7CYBBNOX5NOX3 | |
| SCHEMBL7807217 | 0.90 | DRD4 (0.54) | DHFRHTR7CYBBNOX5NOX3 | |
| Hydrochloric Acid SCHEMBL7807048 | 0.88 | ALOX15 (0.55) | DHFRHTR7CYBBNOX5NOX3 | |
| SCHEMBL7810190 | 0.87 | DHFR (0.65) | DHFRHTR7ADORA1DRD2DRD4 | |
| SCHEMBL7807168 | 0.86 | DHFR (0.70) | DHFRHTR7DRD2DRD4DRD3 | |
| SCHEMBL7801891 | 0.86 | DHFR (0.67) | DHFRDRD2DRD4DRD3SMO | |
| Hydrochloric Acid SCHEMBL7813876 | 0.86 | DHFR (0.64) | DHFRHTR7ADORA1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL7811194 | 0.85 | DHFR (0.69) | DHFRHTR7DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL7808612 | 0.85 | DHFR (0.66) | DHFRDRD2DRD4DRD3SMO | |
| SCHEMBL7813756 | 0.80 | MAPT (0.52) | DHFRHTR7DRD2DRD4DRD3 |
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-0873317-B1 | PYRIMIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0873317-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-28 | — | — | EP | disclosed |
| US-5688798-A | PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| WO-1997013759-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-04-17 | — | — | WO | disclosed |