Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.44 |
| ▸ | CCR2 | P41597 | 8/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL4041014 | 0.80 | LCK (0.56) | — | |
| SCHEMBL4040659 | 0.80 | LCK (0.56) | — | |
| SCHEMBL4039782 | 0.78 | HTR6 (0.39) | ROCK2ACHEBCHE | |
| SCHEMBL7969987 | 0.75 | LCK (0.66) | ROCK2OPRK1ROCK1CCR2ACHE | |
| SCHEMBL7969983 | 0.75 | LCK (0.66) | ROCK2OPRK1ROCK1CCR2ACHE | |
| SCHEMBL4039787 | 0.72 | MCHR1 (0.39) | ROCK2HRH3ROCK1CCR2ACHE | |
| SCHEMBL4868726 | 0.70 | ROCK2 (0.56) | ROCK2HRH3OPRK1ROCK1CCR2 | |
| SCHEMBL3322265 | 0.68 | HRH3 (0.56) | ROCK2HRH3OPRK1ROCK1CCR2 | |
| SCHEMBL3324567 | 0.68 | HRH3 (0.56) | ROCK2HRH3OPRK1ROCK1CCR2 | |
| SCHEMBL1832091 | 0.68 | BCHE (0.59) | ROCK2OPRK1ROCK1CCR2ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066286-A4 | HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-1066286-A1 | HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999045009-A1 | HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-09-10 | — | — | WO | disclosed |