Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 7/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431381 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CTDSP1SMN1; SMN2CASRKDM4E | |
| SCHEMBL4433762 | 0.92 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2CASRKDM4E | |
| SCHEMBL4435241 | 0.92 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2CASRKDM4E | |
| SCHEMBL4432388 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4432417 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4430647 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4441795 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4429569 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2CASRKDM4E | |
| SCHEMBL4436364 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2CASRKDM4E | |
| SCHEMBL4431735 | 0.89 | KDM4E (0.49) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |