Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.57 |
| ▸ | CTSS | P25774 | 3/20 | 0.57 |
| ▸ | PPARA | Q07869 | 9/20 | 0.49 |
| ▸ | PPARG | P37231 | 8/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.45 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31407433 | 1.00 | CTSK (0.57) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL31407663 | 0.92 | CTSK (0.51) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL5814805 | 0.88 | CTSK (0.53) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL181807 | 0.88 | CTSK (0.71) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL181775 | 0.88 | CTSK (0.71) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL181808 | 0.88 | CTSK (0.71) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL17452235 | 0.87 | CTSS (0.61) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL16658 | 0.86 | ACE (0.62) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL478774 | 0.86 | ACE (0.62) | CTSKCTSSPPARAPPARGACE | |
| SCHEMBL3338649 | 0.86 | ACE (0.62) | CTSKCTSSPPARAPPARGACE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |