Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754409 | 0.80 | DPP4 (0.61) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL28338207 | 0.79 | CLK4 (0.61) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL31295947 | 0.78 | DYRK1A (0.69) | ADORA2AADORA1NPC1RAB9ADYRK1A | |
| SCHEMBL12591816 | 0.77 | ABL1 (0.55) | MAPTNPC1RAB9ADYRK1AKDM4E | |
| SCHEMBL28331899 | 0.77 | NPC1 (0.69) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL30268000 | 0.76 | TP53 (0.52) | MAPTNPC1RAB9ADYRK1AKDM4E | |
| SCHEMBL26059423 | 0.76 | DYRK1A (0.75) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL28029282 | 0.75 | CLK4 (0.65) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL23383679 | 0.72 | CLK4 (0.65) | MAPTADORA2AADORA1NPC1RAB9A | |
| SCHEMBL2876289 | 0.72 | XDH (0.64) | NPC1RAB9ADYRK1ADPP4CLK4 |
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-1651619-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005009977-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |