Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5743196 | 0.85 | NPC1 (0.46) | NPC1RAB9AGRM2ALDH1A1SGMS2 | |
| SCHEMBL5741028 | 0.83 | NPC1 (0.51) | NPC1RAB9AALDH1A1SGMS2LMNA | |
| SCHEMBL12585107 | 0.82 | CARM1 (0.53) | ALDH1A1SGMS2LMNACYP1A2CYP2C9 | |
| SCHEMBL23712420 | 0.79 | MCL1 (0.50) | NPC1RAB9AALDH1A1LMNAMAPT | |
| SCHEMBL1154479 | 0.78 | NPC1 (0.55) | NPC1RAB9AALDH1A1SGMS2LMNA | |
| SCHEMBL23434853 | 0.77 | MAOB (0.50) | NPC1RAB9AGRM2ALDH1A1CARM1 | |
| SCHEMBL5741700 | 0.74 | SLC1A5 (0.47) | RAB9AALDH1A1LMNACARM1PRMT1 | |
| SCHEMBL23046957 | 0.70 | HTR1A (0.61) | RAB9AALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL5741190 | 0.70 | NPC1 (0.62) | NPC1RAB9AGRM2ALDH1A1SGMS2 | |
| SCHEMBL13881659 | 0.69 | CARM1 (0.54) | NPC1RAB9AALDH1A1LMNACYP1A2 |
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-1678146-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040133-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-05-06 | — | — | WO | disclosed |