Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CLPP | Q16740 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17547432 | 0.84 | AKR1B1 (0.39) | KCNH2GRM2AKR1B1RAB9AALDH1A1 | |
| SCHEMBL16185333 | 0.84 | AKR1B1 (0.39) | KCNH2GRM2AKR1B1RAB9AALDH1A1 | |
| SCHEMBL16185214 | 0.77 | GRM2 (0.38) | KCNH2GRM2AKR1B1RAB9AALDH1A1 | |
| SCHEMBL17547427 | 0.76 | TP53 (0.41) | KCNH2GRM2RAB9AALDH1A1POLB | |
| SCHEMBL16185317 | 0.75 | CLPP (0.35) | KCNH2GRM2CLPP | |
| SCHEMBL16185316 | 0.74 | CLPP (0.38) | KCNH2GRM2AKR1B1CLPP | |
| SCHEMBL17547425 | 0.73 | CLPP (0.38) | KCNH2GRM2ALDH1A1CLPPLMNA | |
| SCHEMBL5126325 | 0.72 | KCNH2 (0.47) | KCNH2GRM2AKR1B1RAB9AALDH1A1 | |
| SCHEMBL4144158 | 0.70 | GRM2 (0.50) | KCNH2GRM2AKR1B1RAB9AALDH1A1 | |
| SCHEMBL16185325 | 0.70 | GRM2 (0.34) | KCNH2GRM2CLPP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493479-B2 | Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| US-9493479-B2 | Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160060272-A1 | 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | US | disclosed |
| US-20160060272-A1 | 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | 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-20160060272-A1 | 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS | PNPO, TYMP, PDXK | KCNH2 2585/4885GRM2 4171/4885AKR1B1 168/4885 |
“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.