Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 5/20 | 0.56 |
| ▸ | DRD3 | P35462 | 5/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20907320 | 0.94 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9ADRD2DRD3 | |
| SCHEMBL13727501 | 0.89 | NPC1 (0.59) | SMN1; SMN2NPC1RAB9AADRA2CHTT | |
| SCHEMBL15981859 | 0.80 | DRD2 (0.52) | SMN1; SMN2NPC1RAB9ADRD2DRD3 | |
| SCHEMBL15981860 | 0.80 | DRD2 (0.52) | SMN1; SMN2NPC1RAB9ADRD2DRD3 | |
| SCHEMBL7503757 | 0.79 | TGFBR1 (0.55) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL20000624 | 0.78 | DRD2 (0.50) | SMN1; SMN2NPC1RAB9ADRD2DRD3 | |
| SCHEMBL23646854 | 0.77 | MAPT (0.57) | SMN1; SMN2NPC1RAB9ADRD2DRD3 | |
| Hydrochloric Acid SCHEMBL10407803 | 0.77 | TGFBR1 (0.54) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL7956979 | 0.77 | DRD2 (0.50) | NPC1RAB9ADRD2DRD3HTR1A | |
| SCHEMBL30061277 | 0.77 | MAPT (0.57) | SMN1; SMN2NPC1RAB9ADRD2DRD3 |
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 2 patents. 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 |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |