Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.79 |
| ▸ | HPGD | P15428 | 3/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24574267 | 0.88 | EPHX1 (1.00) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL3655854 | 0.88 | EPHX1 (1.00) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL21442929 | 0.88 | EPHX1 (1.00) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL24490081 | 0.88 | EPHX1 (1.00) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL22055470 | 0.88 | EPHX1 (1.00) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL22813414 | 0.86 | EPHX1 (0.80) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL16437128 | 0.86 | EPHX1 (0.96) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL27192692 | 0.84 | EPHX1 (0.92) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL4098357 | 0.82 | KMT2A (0.72) | EPHX1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL1698397 | 0.80 | EPHX1 (0.76) | EPHX1HPGDKMT2ALMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2183245-B1 | DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-07-09 | — | — | EP | disclosed |
| 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 |