Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 8/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434565 | 1.00 | P2RX7 (0.41) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL4432260 | 0.99 | P2RX7 (0.41) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4433559 | 0.94 | P2RX7 (0.41) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4438596 | 0.94 | P2RX7 (0.41) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4432377 | 0.93 | P2RX7 (0.40) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4431769 | 0.93 | P2RX7 (0.40) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4428053 | 0.92 | P2RX7 (0.44) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4427965 | 0.92 | P2RX7 (0.44) | P2RX7EP300ALDH1A1KDM4ETDP1 | |
| SCHEMBL4429537 | 0.90 | PDE4A (0.47) | — | |
| SCHEMBL4435124 | 0.89 | PDE4A (0.42) | P2RX7 |
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 |