Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870827 | 0.91 | MAPT (0.40) | TP53MAPTUSP2GPBAR1ALDH1A1 | |
| SCHEMBL6871092 | 0.90 | MAPT (0.40) | TP53MAPTUSP2ALDH1A1NPC1 | |
| SCHEMBL6870471 | 0.90 | NPC1 (0.43) | TP53MAPTUSP2ALDH1A1NPC1 | |
| SCHEMBL6868240 | 0.87 | MAPT (0.43) | TP53MAPTUSP2GPBAR1ALDH1A1 | |
| SCHEMBL6016449 | 0.86 | GPBAR1 (0.38) | TP53MAPTUSP2GPBAR1ALDH1A1 | |
| SCHEMBL6871313 | 0.86 | TP53 (0.41) | TP53MAPTUSP2ALDH1A1NPC1 | |
| SCHEMBL6866140 | 0.85 | MAPT (0.44) | TP53MAPTUSP2ALDH1A1NPC1 | |
| SCHEMBL6866170 | 0.82 | TP53 (0.42) | TP53MAPTUSP2ALDH1A1NPC1 | |
| SCHEMBL6870831 | 0.80 | MAPT (0.40) | TP53MAPTUSP2GPBAR1ALDH1A1 | |
| SCHEMBL6883258 | 0.80 | CYP1A2 (0.42) | TP53MAPTUSP2HTTMEN1 |
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-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |