Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 4/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL1698333 | 1.00 | EPHX1 (0.79) | EPHX1ALDH1A1TSHRDPP4DPP7 | |
| SCHEMBL1712104 | 0.89 | EPHX1 (1.00) | EPHX1ALDH1A1DPP4TP53 | |
| SCHEMBL28324199 | 0.89 | EPHX1 (1.00) | EPHX1ALDH1A1DPP4TP53 | |
| Hydrochloric Acid SCHEMBL28077546 | 0.87 | EPHX1 (0.95) | EPHX1ALDH1A1DPP4TP53 | |
| SCHEMBL2842397 | 0.87 | EPHX1 (0.95) | EPHX1ALDH1A1DPP4TP53 | |
| Hydrochloric Acid SCHEMBL28819701 | 0.84 | EPHX1 (0.90) | EPHX1ALDH1A1DPP4TP53 | |
| SCHEMBL8743953 | 0.82 | EPHX1 (0.75) | EPHX1 | |
| SCHEMBL1698398 | 0.78 | EPHX1 (0.76) | EPHX1ALDH1A1DPP4TP53 | |
| SCHEMBL5178936 | 0.78 | EPHX1 (0.76) | EPHX1ALDH1A1DPP4TP53 | |
| SCHEMBL1698383 | 0.77 | EPHX1 (0.68) | EPHX1ALDH1A1DPP4DPP7EPHX2 |
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 |