Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 10/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL5223627 | 0.90 | GPR55 (0.42) | GPR55NSD3BRD4ACHECREBBP | |
| SCHEMBL5228026 | 0.90 | HTR1A (0.42) | GPR55NSD3BRD4CREBBPBRD2 | |
| SCHEMBL5225734 | 0.85 | GPR55 (0.39) | GPR55NSD3BRD4CREBBPBRD2 | |
| SCHEMBL5228222 | 0.84 | HRH3 (0.39) | ACHETSHRDRD2DRD4DRD3 | |
| SCHEMBL1997982 | 0.81 | ACHE (0.43) | ACHETSHRDRD3HRH3CYP2D6 | |
| SCHEMBL2761010 | 0.79 | MAPT (0.41) | ACHECYP3A4LMNADRD2DRD4 | |
| SCHEMBL5225128 | 0.79 | NSD3 (0.45) | GPR55NSD3BRD4CREBBPALDH1A1 | |
| SCHEMBL5230180 | 0.77 | HTR1A (0.42) | ACHEALDH1A1CYP3A4LMNATSHR | |
| SCHEMBL2761124 | 0.74 | BCL2L11 (0.40) | LMNATSHR | |
| SCHEMBL5907425 | 0.73 | CHRM2 (0.43) | ALDH1A1CYP3A4LMNATSHRDRD3 |
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 |