Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 8/20 | 0.49 |
| ▸ | CTSS | P25774 | 8/20 | 0.49 |
| ▸ | CTSC | P53634 | 8/20 | 0.46 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22046325 | 0.88 | CTSC (0.58) | TRPA1CTSKCTSSCTSCEGLN2 | |
| SCHEMBL12383142 | 0.88 | CTSC (0.58) | TRPA1CTSKCTSSCTSCEGLN2 | |
| SCHEMBL8036118 | 0.82 | CTSS (0.55) | CTSKCTSSCTSCPTPN1CTSB | |
| SCHEMBL21266172 | 0.81 | TRPA1 (0.50) | TRPA1CTSKCTSSCTSCEGLN2 | |
| SCHEMBL30751838 | 0.81 | TRPA1 (0.50) | TRPA1CTSKCTSSCTSCEGLN2 | |
| SCHEMBL8031921 | 0.79 | GPR119 (0.47) | CTSKCTSCGPR119 | |
| SCHEMBL536951 | 0.78 | CTSC (0.50) | CTSKCTSC | |
| SCHEMBL27669003 | 0.78 | EGLN2 (0.62) | TRPA1EGLN2GPR119 | |
| SCHEMBL25152842 | 0.78 | TRPA1 (0.56) | TRPA1CTSKCTSSEGLN2PTPN1 | |
| SCHEMBL21639072 | 0.78 | CTSS (0.57) | TRPA1CTSKCTSSPTPN1CTSB |
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-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |