Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | CCR4 | P51679 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16258707 | 0.78 | CCR4 (0.55) | ACHECCR4 | |
| SCHEMBL18153389 | 0.73 | ROCK2 (0.56) | ROCK2SRC | |
| SCHEMBL2366622 | 0.69 | HTR1A (0.51) | — | |
| SCHEMBL18063490 | 0.66 | CASP1 (0.50) | ROCK2PLK4PAK4PDE4APDE4B | |
| SCHEMBL22616040 | 0.64 | ALDH1A1 (0.53) | ACHECTSBCTSSCTSKROCK2 | |
| SCHEMBL16258648 | 0.63 | CCR4 (0.51) | CCR4 | |
| SCHEMBL19295961 | 0.63 | KDM4E (0.41) | SRC | |
| SCHEMBL9845815 | 0.63 | KMT2A (0.40) | SRC | |
| SCHEMBL9085080 | 0.62 | HRH4 (0.52) | ACHEROCK2 | |
| SCHEMBL22542113 | 0.61 | HTR3A (0.48) | — |
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-2805947-B1 | PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF | INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) | 2017-02-22 | — | — | EP | disclosed |