Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6219699 | 0.74 | CTSK (0.49) | CTSKCTSSPSEN1PSEN2APH1B | |
| SCHEMBL6215870 | 0.74 | CA2 (0.51) | CTSKCTSS | |
| SCHEMBL4714315 | 0.72 | CTSK (0.71) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6037976 | 0.71 | CTSK (0.45) | CTSKCTSSPSEN1PSEN2APH1B | |
| SCHEMBL6216405 | 0.71 | CTSK (0.48) | CTSK | |
| SCHEMBL29378831 | 0.70 | KYNU (0.44) | HPGDS | |
| SCHEMBL4424596 | 0.70 | PARP10 (0.67) | HSD17B1CYP1A2CYP11B1CYP11B2PARP10 | |
| SCHEMBL28655414 | 0.69 | HSD17B1 (0.78) | HSD17B1CYP1A2CYP11B1CYP11B2PARP10 | |
| SCHEMBL3989386 | 0.69 | CASP1 (0.66) | HSD17B1CYP1A2CYP11B1CYP11B2PARP10 | |
| SCHEMBL6206951 | 0.69 | EPHX1 (0.49) | CYP1A2CTSKCTSS |
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 |