Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | USP2 | O75604 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16637539 | 0.92 | CTSK (0.36) | CTSKALDH1A1USP2HSD17B10CYP3A4 | |
| SCHEMBL16636094 | 0.84 | SLC6A2 (0.42) | SLC6A2SLC6A4CPT2CPT1ACTSK | |
| SCHEMBL16636575 | 0.84 | CTSK (0.49) | SLC6A2SLC6A4CPT2CPT1ACTSK | |
| SCHEMBL16636097 | 0.84 | CTSK (0.49) | SLC6A2SLC6A4CPT2CPT1ACTSK | |
| SCHEMBL16637719 | 0.76 | CTSK (0.39) | SLC6A2SLC6A4CTSKALDH1A1KMT2A | |
| SCHEMBL16636142 | 0.75 | CTSK (0.49) | CTSKALDH1A1BTK | |
| SCHEMBL16635864 | 0.75 | CTSK (0.49) | CTSKALDH1A1BTK | |
| SCHEMBL16636141 | 0.75 | CTSK (0.42) | CTSKALDH1A1TSHRKMT2ABTK | |
| SCHEMBL16635863 | 0.75 | CTSK (0.42) | CTSKALDH1A1TSHRKMT2ABTK | |
| SCHEMBL16635949 | 0.73 | SLC6A2 (0.48) | SLC6A2SLC6A4CPT2CPT1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |