Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.45 |
| ▸ | CTSS | P25774 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4632219 | 0.86 | CTSK (0.49) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL4632221 | 0.86 | CTSK (0.49) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL6508453 | 0.84 | CTSK (0.52) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL23782062 | 0.84 | CTSK (0.52) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL4804217 | 0.84 | CTSK (0.52) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL31341274 | 0.83 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL28821330 | 0.83 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL27993304 | 0.83 | CTSK (0.48) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL633418 | 0.81 | CTSK (0.47) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL690295 | 0.81 | CTSK (0.47) | CTSKCTSSCTSLCTSBCA1 |
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-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |