Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 5/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 4/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSH | P09668 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.48 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL622768 | 1.00 | CTSB (0.52) | CTSBFAAHPSMB5CTSDCTSK | |
| SCHEMBL622810 | 0.89 | CTSB (0.53) | CTSBCTSDCTSKCTSLCTSH | |
| SCHEMBL10890377 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10894372 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10887555 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10889447 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10779016 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10891681 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10889910 | 0.88 | FAAH (0.60) | CTSBFAAHPSMB5CTSKCTSL | |
| SCHEMBL10084543 | 0.88 | CTSB (0.49) | CTSBCTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |