Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 8/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406379 | 0.72 | NCF1 (0.49) | NCF1ADRB2ROCK2ROCK1CDC42BPB | |
| SCHEMBL21935470 | 0.71 | AKT1S1 (0.49) | NCF1ADRB2ROCK2ROCK1CDC42BPB | |
| SCHEMBL13391271 | 0.66 | NCF1 (0.55) | NCF1ADRB2ROCK2ROCK1CDC42BPB | |
| SCHEMBL3094143 | 0.66 | HTR7 (0.62) | NCF1ADRB2ROCK2ROCK1CDC42BPB | |
| Hydrochloric Acid SCHEMBL1967814 | 0.65 | NCF1 (0.54) | NCF1ADRB2ROCK2ROCK1CDC42BPB | |
| SCHEMBL21995763 | 0.64 | ADRB1 (0.52) | NCF1HTR2AHTR7HTR6KDM4E | |
| SCHEMBL900231 | 0.64 | NCF1 (1.00) | NCF1ADRB2HTR2AHTR2CHTR7 | |
| SCHEMBL30041391 | 0.64 | NCF1 (1.00) | NCF1ADRB2HTR2AHTR2CHTR7 | |
| SCHEMBL3323075 | 0.62 | HTR7 (0.58) | NCF1ADRB2HTR2AHTR2CSLC6A4 | |
| SCHEMBL2799562 | 0.62 | AKT2 (0.67) | NCF1ADRB2ROCK2ROCK1CDC42BPB |
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-3626710-A1 | PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2020-03-25 | — | — | EP | disclosed |