Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27249318 | 1.00 | ALK (0.43) | ALKACACBHRH3GRM5LRRK2 | |
| SCHEMBL2838384 | 1.00 | ALK (0.43) | ALKACACBHRH3GRM5LRRK2 | |
| SCHEMBL2836322 | 0.91 | APP (0.43) | ALKACACBHRH3GRM5APP | |
| SCHEMBL15615752 | 0.87 | KDM1A (0.38) | ALKACACBHRH3GRM5KDR | |
| SCHEMBL9966845 | 0.82 | PTGS1 (0.43) | ACACBHRH3KDREGFR | |
| SCHEMBL17669399 | 0.82 | ALK (0.45) | ALKHRH3GRM5LRRK2ERBB2 | |
| SCHEMBL17282339 | 0.82 | ACACB (0.44) | ALKACACBHRH3GRM5LRRK2 | |
| SCHEMBL29130936 | 0.79 | ERBB2 (0.46) | ALKERBB2EPHA2KDREPHB4 | |
| SCHEMBL15573964 | 0.79 | TYR (0.38) | GRM5 | |
| SCHEMBL18410056 | 0.79 | ERBB2 (0.46) | ALKERBB2EPHA2KDREPHB4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588451-B1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2015-12-30 | — | — | EP | disclosed |
| US-9006450-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-04-14 | — | — | US | disclosed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |