Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | DUT | P33316 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16430424 | 0.99 | OPRK1 (0.34) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| Hydrochloric Acid SCHEMBL16430426 | 0.99 | OPRK1 (0.34) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL17979207 | 0.84 | TOP2A (0.36) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL22443406 | 0.84 | TOP2A (0.36) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL18018313 | 0.84 | TOP2A (0.36) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL16430298 | 0.81 | ADRA2A (0.35) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL16430295 | 0.81 | ADRA2A (0.35) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL2492327 | 0.77 | TOP2A (0.33) | TOP2ATHRBADRA2ASIGMAR1CYP2C19 | |
| SCHEMBL22443700 | 0.77 | TOP2A (0.36) | TOP2ATHRBADRA2ASIGMAR1HTR2A | |
| SCHEMBL22443698 | 0.77 | TOP2A (0.36) | TOP2ATHRBADRA2ASIGMAR1HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | TOP2A 2002/4885THRB 4757/4885ADRA2A 4035/4885 |
“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.