Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GPR6 | P46095 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | ARHGDIA | P52565 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14010154 | 0.88 | CYP1A2 (0.57) | CYP1A2LMNAHPGDSPAK1TSHR | |
| SCHEMBL5006065 | 0.88 | CYP1A2 (0.57) | CYP1A2LMNAHPGDSPAK1TSHR | |
| SCHEMBL5006068 | 0.88 | CYP1A2 (0.57) | CYP1A2LMNAHPGDSPAK1TSHR | |
| SCHEMBL6533753 | 0.82 | GRIN2B (0.40) | CYP1A2ROCK2UTS2RLRRK2ROCK1 | |
| SCHEMBL8292778 | 0.82 | CYP1A2 (0.55) | CYP1A2LMNAHPGDSPAK1TSHR | |
| SCHEMBL5797610 | 0.82 | ROCK2 (0.39) | CYP1A2GPR6ROCK2ALDH1A1MEN1 | |
| SCHEMBL5006424 | 0.76 | MAPK1 (0.49) | CYP1A2HPGDSPAK1MAPK1HTT | |
| SCHEMBL14010151 | 0.76 | MAPK1 (0.49) | CYP1A2HPGDSPAK1MAPK1HTT | |
| SCHEMBL5006427 | 0.76 | MAPK1 (0.49) | CYP1A2HPGDSPAK1MAPK1HTT | |
| SCHEMBL5003519 | 0.75 | PAK1 (0.54) | CYP1A2HPGDSPAK1GRIN2B |
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-1656379-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |