Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL17086527 | 0.88 | NR1H2 (0.43) | L3MBTL1NR1H2NR1H3HSD11B1MMP1 | |
| SCHEMBL17078149 | 0.88 | NR1H2 (0.43) | L3MBTL1NR1H2NR1H3HSD11B1MMP1 | |
| SCHEMBL18627354 | 0.86 | GPR119 (0.42) | NR1H2GPR119NR1H3PARP1KLK7 | |
| SCHEMBL28549464 | 0.82 | PARP1 (0.46) | L3MBTL1NR1H2GPR119NR1H3PARP1 | |
| SCHEMBL18622463 | 0.81 | NR1H2 (0.39) | NR1H2GPR119NR1H3MMP1MMP2 | |
| SCHEMBL7056205 | 0.81 | MMP1 (0.48) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL17078092 | 0.81 | L3MBTL1 (0.51) | L3MBTL1MMP1MMP2MMP3MMP9 | |
| SCHEMBL17078090 | 0.81 | L3MBTL1 (0.51) | L3MBTL1MMP1MMP2MMP3MMP9 | |
| SCHEMBL7921498 | 0.77 | KLK7 (0.47) | L3MBTL1NR1H2GPR119NR1H3PARP1 | |
| SCHEMBL7921496 | 0.77 | KLK7 (0.47) | L3MBTL1NR1H2GPR119NR1H3PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073354-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-03-16 | — | — | US | 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 (1 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-20170073354-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | PREP, CTSZ, PEPD | L3MBTL1 4409/4885NR1H2 1893/4885GPR119 3589/4885 |
“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.