Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.60 |
| ▸ | MMP12 | P39900 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | QPCT | Q16769 | 11/20 | 0.48 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | MERTK | Q12866 | 1/20 | 0.45 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2547500 | 0.88 | EPHX1 (0.47) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL12257241 | 0.84 | ADRA2A (0.54) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL28931425 | 0.81 | ADRA2A (0.51) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL30051147 | 0.81 | ADRA2A (0.51) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL24819761 | 0.79 | ADRA2A (0.47) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL20011724 | 0.78 | EPHX1 (0.43) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| Benzimidazole SCHEMBL14432690 | 0.78 | BCHE (0.46) | EPHX1QPCTNAMPTMERTK | |
| SCHEMBL24819763 | 0.77 | EPHX1 (0.46) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL2541647 | 0.77 | ADRA2A (0.50) | EPHX1MMP12ADRA2AADRA2CADRA1D | |
| SCHEMBL2545182 | 0.77 | EPHX1 (0.48) | EPHX1ADRA2AADRA2CADRA1DADRA1A |
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-2376491-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | Cephalon, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010071885-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2010-06-24 | — | — | WO | disclosed |