Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.71 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6606757 | 1.00 | CTSK (0.71) | CTSKHSPA5ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL6604125 | 0.77 | CTSK (0.71) | CTSKALDH1A1SMN1; SMN2PKMCTSV | |
| SCHEMBL6607233 | 0.77 | CTSK (0.71) | CTSKALDH1A1SMN1; SMN2PKMCTSV | |
| SCHEMBL6619380 | 0.76 | CTSK (0.59) | CTSKHSPA5ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL6614274 | 0.74 | CTSK (0.71) | CTSKCTSVCTSS | |
| SCHEMBL4317649 | 0.74 | CTSK (0.71) | CTSKCTSVCTSS | |
| SCHEMBL4317659 | 0.74 | CTSK (0.71) | CTSKCTSVCTSS | |
| SCHEMBL6361968 | 0.74 | ALDH1A1 (0.57) | HSPA5ALDH1A1PKMCYP2C9CYP1A2 | |
| SCHEMBL6361959 | 0.74 | ALDH1A1 (0.57) | HSPA5ALDH1A1PKMCYP2C9CYP1A2 | |
| SCHEMBL5637491 | 0.72 | CTSK (0.53) | CTSK |
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-1411933-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SmithKline Beecham Corporation (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003013518-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |