Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL673109 | 0.81 | ROCK1 (0.40) | ROCK1CDC42BPBMAP4K1KCNH2MKNK1 | |
| SCHEMBL672347 | 0.80 | ROCK1 (0.33) | ROCK1CDC42BPBMAP4K1KCNH2MKNK1 | |
| SCHEMBL672348 | 0.77 | ROCK1 (0.33) | ROCK1CDC42BPBMAP4K1KCNH2MKNK1 | |
| SCHEMBL674121 | 0.74 | GSK3B (0.36) | ROCK1CDC42BPBMAP4K1KCNH2GSK3B | |
| SCHEMBL674120 | 0.74 | MAP4K1 (0.35) | ROCK1CDC42BPBMAP4K1KCNH2GSK3B | |
| SCHEMBL20577255 | 0.74 | HTR3A (0.41) | ROCK1CDC42BPBKCNH2MKNK1MKNK2 | |
| SCHEMBL20577257 | 0.74 | HTR3A (0.41) | ROCK1CDC42BPBKCNH2MKNK1MKNK2 | |
| SCHEMBL21311738 | 0.71 | HRH3 (0.35) | ROCK1MKNK1MKNK2HRH3 | |
| SCHEMBL27905525 | 0.71 | HRH3 (0.35) | HRH3 | |
| SCHEMBL9842899 | 0.71 | HTR1A (0.46) | — |
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-2606051-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | Hutchison Medipharma Limited (CN) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012022045-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |
| WO-2012022265-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |