Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.53 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | MMP7 | P09237 | 1/20 | 0.53 |
| ▸ | TGM2 | P21980 | 9/20 | 0.47 |
| ▸ | F13A1 | P00488 | 7/20 | 0.47 |
| ▸ | TGM1 | P22735 | 5/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17800326 | 1.00 | MMP1 (0.53) | MMP1MMP9MMP3MMP7TGM2 | |
| SCHEMBL16430933 | 0.90 | MMP1 (0.53) | MMP1MMP9MMP3MMP7TGM2 | |
| SCHEMBL17807532 | 0.88 | MMP1 (0.52) | MMP1MMP9MMP3MMP7TGM2 | |
| SCHEMBL4037002 | 0.84 | MMP1 (0.62) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL4038681 | 0.84 | MMP1 (0.62) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL4035557 | 0.84 | MMP1 (0.62) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL27727372 | 0.84 | MMP1 (0.56) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL17800494 | 0.81 | MMP1 (0.53) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL22089008 | 0.81 | MMP1 (0.53) | MMP1MMP9MMP3MMP7MMP13 | |
| SCHEMBL17800319 | 0.81 | MMP1 (0.53) | MMP1MMP9MMP3MMP7TGM2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027593-B1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-06-10 | — | — | EP | disclosed |
| US-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| US-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| US-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| US-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| WO-2015017393-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | 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 (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-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | PREP, CTSZ, PEPD | MMP1 231/4885MMP9 83/4885MMP3 57/4885 |
“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.