Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224159 | 0.90 | GPR55 (0.43) | GPR55NSD3BRD4CREBBPHRH3 | |
| SCHEMBL5228026 | 0.89 | HTR1A (0.42) | GPR55NSD3BRD4CREBBPALDH1A1 | |
| SCHEMBL5225734 | 0.83 | GPR55 (0.39) | GPR55NSD3BRD4CREBBP | |
| SCHEMBL1998316 | 0.82 | HRH3 (0.45) | HRH3GAAMAPTALDH1A1ACHE | |
| SCHEMBL2761238 | 0.80 | LMNA (0.51) | HRH3GAAMAPTALDH1A1ACHE | |
| Hydrochloric Acid SCHEMBL1997591 | 0.79 | LMNA (0.50) | HRH3GAAMAPTALDH1A1ACHE | |
| SCHEMBL5225128 | 0.79 | NSD3 (0.45) | GPR55NSD3BRD4CREBBPALDH1A1 | |
| SCHEMBL5227450 | 0.77 | HRH3 (0.42) | HRH3GAAMAPTALDH1A1ACHE | |
| SCHEMBL5228222 | 0.74 | HRH3 (0.39) | HRH3MAPTACHEDRD2DRD4 | |
| SCHEMBL1999587 | 0.73 | LMNA (0.44) | HRH3GAAMAPTALDH1A1DRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |