Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14063623 | 0.85 | DGKA (0.45) | CYP1A2TSHRL3MBTL1GSTP1ALDH1A1 | |
| SCHEMBL9360783 | 0.82 | ADRA2A (0.37) | MCL1CYP1A2TSHRGSTP1ALDH1A1 | |
| SCHEMBL10011260 | 0.82 | GSTP1 (0.51) | CYP1A2TSHRL3MBTL1POLBGSTP1 | |
| SCHEMBL6830198 | 0.79 | GSTP1 (0.38) | CYP1A2TSHRL3MBTL1GSTP1ALDH1A1 | |
| SCHEMBL13751320 | 0.79 | GPR84 (0.38) | CYP1A2TSHRL3MBTL1GSTP1SMN1; SMN2 | |
| SCHEMBL4646333 | 0.79 | DGKA (0.50) | CYP1A2TSHRL3MBTL1ALDH1A1DGKA | |
| SCHEMBL10009361 | 0.79 | GSTP1 (0.34) | CYP1A2TSHRL3MBTL1GSTP1DGKA | |
| SCHEMBL10011617 | 0.79 | GSTP1 (0.38) | CYP1A2TSHRGSTP1ALDH1A1SLC1A3 | |
| SCHEMBL11079375 | 0.79 | DGKA (0.50) | CYP1A2TSHRL3MBTL1ALDH1A1DGKA | |
| SCHEMBL15083597 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100430052-C | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2008-11-05 | — | — | CN | disclosed |
| CN-1638757-A | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | disclosed |