Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 6/20 | 0.65 |
| ▸ | SLC1A2 | P43004 | 6/20 | 0.65 |
| ▸ | SLC1A1 | P43005 | 6/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL852209 | 0.87 | SLC1A3 (0.76) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL1953602 | 0.87 | SLC1A3 (0.76) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL418322 | 0.87 | SLC1A3 (0.76) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| Water SCHEMBL30419716 | 0.85 | SLC1A3 (0.73) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL3790358 | 0.83 | SLC1A1 (0.71) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL16430589 | 0.82 | SLC1A3 (0.49) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL27261070 | 0.80 | CYP2D6 (0.47) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL2004120 | 0.80 | SLC1A2 (0.67) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL2004125 | 0.80 | SLC1A2 (0.67) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A | |
| SCHEMBL21873930 | 0.80 | SLC1A2 (0.67) | SLC1A3SLC1A2SLC1A1CYP2D6KMT2A |
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 10 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 |
| 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 |
| EP-3027593-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015013835-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | 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 | SLC1A3 4076/4885SLC1A2 4449/4885SLC1A1 3934/4885 |
“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.