Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.72 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802247 | 0.88 | DHFR (0.57) | DHFRDRD4DRD3ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7806908 | 0.87 | DHFR (0.56) | DHFRDRD4DRD3ALDH1A1LMNA | |
| SCHEMBL7810190 | 0.85 | DHFR (0.65) | DHFRDRD4DRD3ALDH1A1LMNA | |
| SCHEMBL7807168 | 0.85 | DHFR (0.70) | DHFRDRD4DRD3ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7813876 | 0.84 | DHFR (0.64) | DHFRDRD4DRD3ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7811194 | 0.84 | DHFR (0.69) | DHFRDRD4DRD3ALDH1A1LMNA | |
| SCHEMBL7801857 | 0.80 | ALDH1A1 (0.61) | DHFRDRD4DRD3ALDH1A1MAPT | |
| SCHEMBL7807221 | 0.78 | DHFR (0.65) | DHFRDRD4DRD3LMNA | |
| Hydrochloric Acid SCHEMBL7807039 | 0.77 | DHFR (0.64) | DHFRALDH1A1MAPT | |
| SCHEMBL7810326 | 0.76 | DHFR (0.59) | DHFRDRD4ALDH1A1LMNAMAPT |
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 |