Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382659 | 0.84 | EPHX1 (0.52) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL27756824 | 0.82 | EPHX1 (0.50) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL2551779 | 0.82 | EPHX1 (0.50) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL5128756 | 0.82 | EPHX1 (0.50) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL11638915 | 0.81 | EPHX1 (0.46) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL3631820 | 0.81 | EPHX1 (0.48) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7556363 | 0.81 | RAB9A (0.51) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL8216997 | 0.81 | EPHX1 (0.48) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6033535 | 0.81 | EPHX1 (0.48) | EPHX1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL459573 | 0.79 | EPHX1 (0.47) | EPHX1SMN1; SMN2NPC1RAB9AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | disclosed |