Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.47 |
| ▸ | CTSA | P10619 | 2/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11006533 | 0.81 | LMNA (0.43) | CYP17A1MAPK1 | |
| SCHEMBL6037976 | 0.81 | CTSK (0.45) | CTSKCTSLCTSSPSEN1PSEN2 | |
| SCHEMBL6215870 | 0.81 | CA2 (0.51) | CTSKCTSS | |
| SCHEMBL6216984 | 0.79 | CYP1A2 (0.47) | CTSALRRK2 | |
| SCHEMBL29378831 | 0.77 | KYNU (0.44) | ROCK1MAPK1AURKB | |
| SCHEMBL7763092 | 0.77 | CTSK (0.49) | CTSKCTSLCTSSPSEN1PSEN2 | |
| SCHEMBL956332 | 0.76 | CTSK (0.34) | CTSKCTSLCTSSPSEN1PSEN2 | |
| SCHEMBL11004067 | 0.76 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL6206951 | 0.75 | EPHX1 (0.49) | CTSKCTSSCYP17A1 | |
| SCHEMBL6219829 | 0.74 | HSD17B1 (0.48) | CTSKCTSLCTSSCTSBPSEN1 |
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-1248612-A4 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-09-07 | — | — | EP | disclosed |
| EP-1248612-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001049288-A9 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001049288-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-07-12 | — | — | WO | disclosed |