Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28661629 | 0.77 | SMN1; SMN2 (0.65) | KDM4ESMN1; SMN2MAPTLMNAGAA | |
| SCHEMBL4056576 | 0.77 | SMN1; SMN2 (0.40) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL5318002 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2LMNATSHR | |
| SCHEMBL5177389 | 0.75 | KDM4E (0.52) | ALDH1A1KDM4ESMN1; SMN2MAPTPKM | |
| SCHEMBL4056791 | 0.74 | ALDH1A1 (0.56) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL3350429 | 0.73 | KDM4E (0.70) | KDM4ESMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL5178272 | 0.73 | RXFP1 (0.60) | ALDH1A1KDM4ESMN1; SMN2HTTKMT2A | |
| SCHEMBL4063767 | 0.70 | ALDH1A1 (0.45) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL5177676 | 0.69 | SMN1; SMN2 (0.54) | ALDH1A1NPC1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL5178406 | 0.68 | KDM4E (0.47) | KDM4ESMN1; SMN2LMNATP53KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1828199-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | claimed |
| WO-2006063732-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-22 | — | — | WO | claimed |
| EP-1828199-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063732-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-22 | — | — | WO | disclosed |