Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19357527 | 0.84 | CTSK (0.44) | CTSKCTSSATMMMP13CTSL | |
| SCHEMBL23691867 | 0.84 | CTSK (0.44) | CTSKCTSSATMMMP13CTSL | |
| SCHEMBL14923545 | 0.79 | CTSK (0.51) | CTSKCTSSATMCTSLCTSB | |
| SCHEMBL15632507 | 0.79 | CTSK (0.51) | CTSKCTSSATMCTSLCTSB | |
| SCHEMBL7400537 | 0.79 | CTSK (0.51) | CTSKCTSSATMCTSLCTSB | |
| SCHEMBL15632169 | 0.79 | CTSK (0.51) | CTSKCTSSATMCTSLCTSB | |
| SCHEMBL25076073 | 0.77 | SLC1A3 (0.44) | CTSKCTSSATMMMP13CTSL | |
| SCHEMBL9404368 | 0.77 | CTSS (0.45) | CTSKCTSSATMMMP13CTSL | |
| SCHEMBL8909055 | 0.77 | CTSS (0.45) | CTSKCTSSATMMMP13CTSL | |
| SCHEMBL15081404 | 0.76 | ATM (0.57) | CTSKCTSSATMCTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |