Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.56 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19088387 | 0.89 | MMP8 (0.55) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL7439231 | 0.89 | TACR1 (0.58) | MMP8ELANEHPRT1TP53TACR1 | |
| SCHEMBL21578811 | 0.88 | MMP8 (0.56) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL25453220 | 0.88 | MMP8 (0.56) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL10884441 | 0.85 | MMP8 (0.54) | MMP8ELANEHPRT1TP53TACR1 | |
| SCHEMBL10884445 | 0.85 | MMP8 (0.54) | MMP8ELANEHPRT1TP53TACR1 | |
| SCHEMBL22644010 | 0.84 | HDAC3 (0.50) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL15343891 | 0.84 | MMP8 (0.59) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL27464748 | 0.84 | MMP8 (0.59) | MMP8ELANEHPRT1TP53EPHX2 | |
| SCHEMBL8966036 | 0.84 | MMP8 (0.59) | MMP8ELANEHPRT1TP53EPHX2 |
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-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |