Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.41 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1420024 | 0.96 | AGXT (0.52) | AGXTPTGS2PRKCIBCL2AOC3 | |
| SCHEMBL13186526 | 0.88 | TAAR1 (0.48) | AGXTPTGS2BCL2AOC3GGPS1 | |
| SCHEMBL1513827 | 0.86 | HSD17B1 (0.54) | MMP3GPR84 | |
| SCHEMBL5148894 | 0.85 | CHKA (0.40) | AGXTPTGS2PRKCIBCL2AOC3 | |
| SCHEMBL12345478 | 0.85 | MAOB (0.39) | — | |
| SCHEMBL6276471 | 0.84 | CHKA (0.53) | PTGS2AOC3CHKA | |
| SCHEMBL4060950 | 0.81 | CLK4 (0.46) | — | |
| SCHEMBL3604987 | 0.81 | PRMT6 (0.59) | PRMT6ACMSD | |
| SCHEMBL21368935 | 0.81 | MAOB (0.51) | AGXT | |
| SCHEMBL16398826 | 0.81 | MAOB (0.50) | AGXT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2571879-A1 | HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011134877-A1 | HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-03 | — | — | WO | disclosed |