Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13006367 | 0.82 | ADRA2C (0.56) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL27762008 | 0.75 | ADRA2C (0.49) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL27762010 | 0.75 | ADRA2C (0.49) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL24227168 | 0.74 | ADRA2C (0.47) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL16019523 | 0.74 | FAAH (0.52) | ADRA2CDRD2MAPTHTR1A | |
| SCHEMBL173027 | 0.72 | ADRB1 (0.62) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL30656303 | 0.72 | ADRB1 (0.62) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL27506463 | 0.72 | ADRA2C (0.56) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL20376817 | 0.71 | ADRA2C (0.51) | ADRA2CDRD3DRD2MAPK1EGFR | |
| SCHEMBL21724741 | 0.71 | ADRA2C (0.51) | ADRA2CDRD3DRD2MAPK1EGFR |
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-8158628-B2 | Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals | GRUENENTHAL GMBH (DE) | 2012-04-17 | — | — | US | disclosed |