Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.38 |
| ▸ | SPR | P35270 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21223637 | 0.94 | GRM5 (0.55) | GRM5HSD11B1SPRUSP2CYP1A2 | |
| SCHEMBL31187309 | 0.92 | GRM5 (0.58) | GRM5HSD11B1SPRUSP2CYP1A2 | |
| SCHEMBL22634389 | 0.89 | HSD11B1 (0.46) | GRM5HSD11B1SPRUSP2 | |
| SCHEMBL22158154 | 0.88 | HSD11B1 (0.49) | GRM5HSD11B1SPRUSP2 | |
| SCHEMBL22158069 | 0.85 | SPR (0.47) | GRM5HSD11B1SPRUSP2 | |
| SCHEMBL30553460 | 0.85 | SPR (0.40) | GRM5HSD11B1SPRUSP2 | |
| SCHEMBL29622544 | 0.80 | GRM5 (0.44) | GRM5HSD11B1SPRCYP1A2CYP3A4 | |
| SCHEMBL14921031 | 0.78 | GRM5 (0.37) | GRM5SPRCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL22647470 | 0.77 | — | — | |
| SCHEMBL3379327 | 0.76 | CTSB (0.38) | GRM5HSD11B1SPRUSP2CYP1A2 |
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-2590981-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | Leo Pharma A/S (DK) | 2013-05-15 | — | — | EP | claimed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | claimed |