Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 8/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1261819 | 0.89 | PDCD1 (0.49) | TLR9TLR7TLR8PDCD1CD274 | |
| Hydrochloric Acid SCHEMBL1262005 | 0.88 | PDCD1 (0.48) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL15933626 | 0.84 | ASIC3 (0.51) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL3156931 | 0.84 | PDCD1 (0.54) | TLR9TLR7TLR8PDCD1CD274 | |
| Hydrochloric Acid SCHEMBL30785571 | 0.83 | PDCD1 (0.53) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL12340037 | 0.82 | PDCD1 (0.52) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL15933482 | 0.81 | PDCD1 (0.54) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL15933483 | 0.81 | PDCD1 (0.48) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL15933625 | 0.81 | PDCD1 (0.48) | TLR9TLR7TLR8PDCD1CD274 | |
| SCHEMBL327547 | 0.81 | PDCD1 (0.48) | TLR9TLR7TLR8PDCD1CD274 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014117318-A1 | NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |
| EP-1979360-B1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2009-10-14 | — | — | EP | disclosed |
| US-20090088368-A1 | COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2009-04-02 | — | — | US | disclosed |
| US-20090088368-A1 | COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2009-04-02 | — | — | US | disclosed |
| US-20090088368-A1 | COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2009-04-02 | — | — | US | disclosed |
| EP-1979360-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2008-10-15 | — | — | EP | disclosed |
| US-7265128-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-09-04 | — | — | US | disclosed |
| US-7265128-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-09-04 | — | — | US | disclosed |
| US-7265128-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-09-04 | — | — | US | disclosed |
| WO-2007089667-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-08-09 | — | — | WO | disclosed |
| WO-2007089667-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-08-09 | — | — | WO | disclosed |
| US-20060069116-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME LLC | 2006-03-30 | — | — | US | disclosed |
| WO-2004064778-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO. INC. (US) | 2004-08-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060069116-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | DPP4, DPP3, DPP7 | TLR9 3211/4885TLR7 3742/4885TLR8 3083/4885 |
| US-20090088368-A1 | COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | PPARG, PPARA, PPARD | TLR9 1240/4885TLR7 1988/4885TLR8 1057/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.