Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6884800 | 0.79 | L3MBTL1 (0.43) | DPP4MAPTLMNADPP8SMN1; SMN2 | |
| SCHEMBL7703582 | 0.78 | RXFP1 (0.46) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL5236007 | 0.76 | HSP90AA1 (0.52) | HSP90AA1DPP4MAPTKDM4EDPP8 | |
| SCHEMBL6862075 | 0.75 | AURKA (0.45) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL25272744 | 0.73 | AURKA (0.46) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL29536567 | 0.73 | AURKA (0.46) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL6868503 | 0.73 | KMT2A (0.64) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL6216934 | 0.71 | AURKA (0.44) | HSP90AA1AURKAKDRAURKBMAPT | |
| SCHEMBL6866229 | 0.70 | MAPT (0.58) | MAPTKDM4ELMNAHPGDSMN1; SMN2 | |
| SCHEMBL12126619 | 0.70 | MAPT (0.54) | AURKAKDRAURKBMAPTKDM4E |
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 |