Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CCR2 | P41597 | 6/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429569 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4433762 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4435241 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4441758 | 0.91 | ALDH1A1 (0.47) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4441724 | 0.91 | ALDH1A1 (0.47) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4441777 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4434335 | 0.91 | KDM4E (0.46) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4435240 | 0.91 | CNR1 (0.50) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4436339 | 0.91 | CNR1 (0.50) | ALDH1A1CTDSP1SMN1; SMN2KDM4ECCR2 | |
| SCHEMBL4441795 | 0.90 | KDM4E (0.46) | 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 |