Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL14193735 | 0.83 | MMP2 (0.39) | EPHX1ALDH1A1NPSR1MMP2TP53 | |
| SCHEMBL15910900 | 0.77 | ALDH1A1 (0.41) | EPHX1ALDH1A1NPSR1MMP2TP53 | |
| SCHEMBL6259795 | 0.75 | EPHX1 (0.48) | EPHX1ALDH1A1MMP2TP53CA12 | |
| SCHEMBL13999779 | 0.75 | EPHX1 (0.48) | EPHX1ALDH1A1MMP2TP53CA12 | |
| SCHEMBL931422 | 0.75 | EPHX1 (0.48) | EPHX1ALDH1A1MMP2TP53CA12 | |
| SCHEMBL3149068 | 0.74 | EPHX1 (0.52) | EPHX1ALDH1A1NPSR1TP53KDM4E | |
| SCHEMBL27321593 | 0.74 | SHBG (0.39) | EPHX1NPSR1MMP2TP53CA12 | |
| SCHEMBL17120358 | 0.74 | SHBG (0.39) | EPHX1ALDH1A1NPSR1MMP2TP53 | |
| SCHEMBL6062557 | 0.74 | EPHX1 (0.50) | EPHX1ALDH1A1TP53KDM4EGMNN | |
| SCHEMBL10335823 | 0.73 | SHBG (0.42) | EPHX1NPSR1MMP2TP53CA12 |
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-2582705-A1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011161009-A1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-29 | — | — | WO | disclosed |