Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411444 | 0.83 | EPHX1 (0.48) | EPHX1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7014601 | 0.75 | EPHX1 (0.50) | EPHX1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7420047 | 0.67 | SLC6A4 (0.34) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7021841 | 0.67 | SLC6A2 (0.36) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7019871 | 0.66 | SLC6A2 (0.36) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| Hydrochloric Acid SCHEMBL7137781 | 0.65 | HTR2A (0.45) | SLC6A2SLC6A4MAPKAPK2NSD2RAB9A | |
| SCHEMBL7420833 | 0.65 | L3MBTL1 (0.41) | EPHX1CTSK | |
| SCHEMBL6382622 | 0.65 | CYP2C9 (0.53) | EPHX1NPC1RAB9ACTSCKCNH2 | |
| SCHEMBL6382625 | 0.65 | CYP2C9 (0.53) | EPHX1NPC1RAB9ACTSCKCNH2 | |
| SCHEMBL6379276 | 0.65 | CYP2C9 (0.53) | EPHX1NPC1RAB9ACTSCKCNH2 |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |