Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 9/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL4895606 | 0.85 | ALDH1A1 (0.46) | PDE5AMAPK1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL5184950 | 0.72 | CNR1 (0.35) | NPC1ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL3819619 | 0.70 | JAK2 (0.49) | MAPK1DYRK3ROCK2CLK2GSK3A | |
| SCHEMBL2661760 | 0.68 | CNR1 (0.45) | MAPK1SMN1; SMN2MAPTCNR1ACHE | |
| SCHEMBL958473 | 0.68 | CNR1 (0.58) | PDE5AMAPK1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL14380101 | 0.66 | CNR1 (0.47) | SMN1; SMN2ALDH1A1LMNAMAPTCNR1 | |
| SCHEMBL4896885 | 0.66 | KDM4E (0.47) | KDM4EALDH1A1HPGDCLK2CLK4 | |
| SCHEMBL3239696 | 0.65 | PDE5A (0.52) | PDE5AMAPK1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL3237858 | 0.64 | PDE5A (0.75) | PDE5AMAPK1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL3666525 | 0.63 | CDC7 (0.60) | MAPK1HPGDDYRK3ROCK2CLK2 |
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-1802583-A1 | HETEROCYCLIC CARBONYL COMPOUNDS | Merck Patent GmbH (DE) | 2007-07-04 | — | — | EP | claimed |
| WO-2006045350-A1 | HETEROCYCLIC CARBONYL COMPOUNDS | MERCK PATENT GMBH (DE) | 2006-05-04 | — | — | WO | claimed |
| EP-1802583-A1 | HETEROCYCLIC CARBONYL COMPOUNDS | Merck Patent GmbH (DE) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006045350-A1 | HETEROCYCLIC CARBONYL COMPOUNDS | MERCK PATENT GMBH (DE) | 2006-05-04 | — | — | WO | disclosed |