Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441498 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1CNR1LMNA | |
| SCHEMBL4438454 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1CNR1LMNA | |
| SCHEMBL4440475 | 0.82 | CNR1 (0.57) | ALDH1A1TDP1CNR1LMNAMAPT | |
| SCHEMBL4428018 | 0.82 | CNR1 (0.57) | ALDH1A1TDP1CNR1LMNAMAPT | |
| SCHEMBL4434742 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1CNR1LMNA | |
| SCHEMBL3732654 | 0.79 | MMP2 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL3734687 | 0.79 | MMP2 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL3735896 | 0.79 | MMP2 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL3733797 | 0.79 | MMP2 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL3732652 | 0.79 | MMP2 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | claimed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | claimed |
| 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 |