Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.56 |
| ▸ | DRD4 | P21917 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | HTR2C | P28335 | 2/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245685 | 0.80 | ADRB1 (0.61) | DRD2DRD4DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4934648 | 0.79 | ADRB1 (0.59) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL23657292 | 0.75 | ADRB1 (0.58) | DRD2DRD3HRH4DRD1DRD5 | |
| SCHEMBL8318081 | 0.74 | BCL2A1 (0.59) | MAPTKDM4ESIRT6ADRA2CALDH1A1 | |
| SCHEMBL423400 | 0.73 | MAPT (0.65) | DRD2DRD4DRD3DRD1DRD5 | |
| SCHEMBL14922319 | 0.73 | CHKA (0.46) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL24309441 | 0.73 | SIRT6 (0.45) | DRD2DRD3HRH4MAPTKDM4E | |
| SCHEMBL8318825 | 0.72 | MAPT (0.59) | L3MBTL1MAPTKDM4EADRA2CALDH1A1 | |
| SCHEMBL24309440 | 0.72 | CCR1 (0.40) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL24309761 | 0.71 | SIRT6 (0.44) | HRH4MAPTKDM4ERAD52SIRT6 |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |