Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16430933 | 0.83 | MMP1 (0.53) | ALDH1A1 | |
| SCHEMBL16430382 | 0.81 | CA1 (0.49) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL16431471 | 0.81 | CA1 (0.57) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL4943200 | 0.80 | L3MBTL1 (0.64) | ALDH1A1TSHRL3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL16430479 | 0.78 | TSHR (0.46) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL16430396 | 0.76 | CA1 (0.50) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL4310883 | 0.75 | LMNA (0.52) | ALDH1A1TSHRL3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL7188833 | 0.75 | LMNA (0.52) | ALDH1A1TSHRL3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL4467369 | 0.75 | MMP1 (0.67) | — | |
| SCHEMBL17800330 | 0.74 | LMNA (0.39) | ALDH1A1CA1CA2CA4CA9 |
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 3 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-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | 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-20160159752-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | PREP, CTSZ, PEPD | ALDH1A1 1727/4885CA1 4766/4885CA2 4453/4885 |
“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.