Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | CTSC | P53634 | 6/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
| ▸ | CTSB | P07858 | 3/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6750589 | 1.00 | GRM4 (0.39) | GRM4EPHX1CTSCKCNH2ALDH1A1 | |
| SCHEMBL6750593 | 1.00 | GRM4 (0.39) | GRM4EPHX1CTSCKCNH2ALDH1A1 | |
| SCHEMBL6385823 | 0.84 | CTSC (0.47) | CTSCKCNH2ALDH1A1CTSSCTSK | |
| SCHEMBL6750596 | 0.84 | CTSC (0.47) | CTSCKCNH2ALDH1A1CTSSCTSK | |
| Acetic Acid SCHEMBL6384093 | 0.80 | CTSC (0.44) | CTSCKCNH2ALDH1A1CTSSCTSK | |
| SCHEMBL6839101 | 0.77 | PSEN1 (0.48) | CTSCKCNH2CTSSCTSKCTSB | |
| SCHEMBL6840907 | 0.74 | CTSC (0.41) | GRM4EPHX1CTSCKCNH2CTSS | |
| SCHEMBL6755447 | 0.74 | CTSC (0.41) | GRM4EPHX1CTSCKCNH2CTSS | |
| SCHEMBL6754231 | 0.74 | CTSC (0.41) | GRM4EPHX1CTSCKCNH2CTSS | |
| SCHEMBL5255995 | 0.74 | CTSC (0.41) | GRM4EPHX1CTSCKCNH2CTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |