Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8176917 | 1.00 | CTSK (0.51) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL4058903 | 1.00 | CTSK (0.51) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL16328959 | 0.89 | CTSK (0.49) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL16855041 | 0.89 | CTSK (0.51) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL16552425 | 0.89 | CTSK (0.51) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL1161276 | 0.89 | CTSK (0.45) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL4364211 | 0.89 | CTSK (0.45) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL12369655 | 0.86 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL12228690 | 0.86 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BCYP1A2 | |
| SCHEMBL13577832 | 0.86 | CTSK (0.52) | CTSKCTSSITGB3ITGA2BCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015094444-A1 | SUGAR-FREE SWEETENER | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2015-06-25 | — | — | WO | disclosed |
| EP-2396304-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | Exelixis, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| EP-2366693-A1 | NITROIMIDAZOLE-AMINO ACID COMPOUND TYPE NUCLIDE HYPOXIA IMAGING AGENT AND INTERMEDIATES FOR PREPARING THEM | Ruan, Jianping (CN) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |
| EP-1263756-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001070734-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |