Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081929 | 0.80 | BRD4 (0.44) | BRD4ADRA2AADRA1DADRA1AGRIA2 | |
| SCHEMBL15082021 | 0.80 | BRD4 (0.44) | BRD4ADRA2AADRA1DADRA1AGRIA2 | |
| SCHEMBL10210990 | 0.80 | BRD4 (0.44) | BRD4ADRA2AADRA1DADRA1AGRIA2 | |
| SCHEMBL18022528 | 0.79 | MEN1 (0.51) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL21787709 | 0.79 | MEN1 (0.51) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL17086752 | 0.79 | HTR2C (0.43) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL17113820 | 0.79 | HTR2C (0.43) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL17086753 | 0.79 | HTR2C (0.43) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL17864278 | 0.76 | HTR2A (0.44) | ADRA2AADRA1DADRA1ADRD2DRD4 | |
| SCHEMBL17113823 | 0.75 | HTR2C (0.45) | HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-9242981-B2 | Fused pyrazole derivatives as novel ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |