Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 5/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8234393 | 0.82 | CD44 (0.43) | BRD4ATAD2NOS2HRH3SOS1 | |
| SCHEMBL8244028 | 0.79 | HRH3 (0.36) | BRD4ATAD2NOS2HRH3ROCK2 | |
| SCHEMBL8242460 | 0.78 | MAPK1 (0.40) | BRD4ATAD2NOS2HRH3MAPK1 | |
| SCHEMBL4964715 | 0.76 | MAPT (0.48) | BRD4ATAD2MAPK1CYP1A2CYP3A4 | |
| SCHEMBL4753171 | 0.75 | BRD4 (0.40) | BRD4ATAD2NOS2HRH3SOS1 | |
| SCHEMBL10175794 | 0.75 | ROCK2 (0.46) | ROCK2KDM1AKMT2AALOX15 | |
| SCHEMBL29525834 | 0.75 | ROCK2 (0.46) | ROCK2KDM1AKMT2AALOX15 | |
| SCHEMBL18403938 | 0.72 | HRH3 (0.41) | BRD4ATAD2NOS2HRH3ROCK2 | |
| SCHEMBL20817932 | 0.72 | BRD4 (0.46) | BRD4ATAD2MAPK1CYP1A2CYP3A4 | |
| SCHEMBL4749323 | 0.72 | CCNA2 (0.41) | BRD4ATAD2NOS2HRH3ROCK2 |
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-1934199-A2 | INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007039462-A2 | INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |