Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.52 |
| ▸ | AR | P10275 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3151277 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP3A4CYP2C9GAA | |
| SCHEMBL3160612 | 0.80 | LMNA (0.57) | CYP1A2CYP2C19CYP3A4CYP2C9GAA | |
| SCHEMBL3156289 | 0.78 | SMN1; SMN2 (0.58) | CYP1A2CYP2C19CYP2C9L3MBTL1AR | |
| SCHEMBL3156730 | 0.78 | LMNA (0.51) | L3MBTL1ARRAB9ANPC1MAPK1 | |
| SCHEMBL3145638 | 0.76 | MAPK1 (0.52) | CYP1A2CYP2C19CYP3A4CYP2C9GAA | |
| SCHEMBL3151301 | 0.74 | DRD2 (0.42) | GAARAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL3771969 | 0.71 | L3MBTL1 (0.76) | CYP1A2CYP2C19CYP3A4CYP2C9GAA | |
| SCHEMBL3148865 | 0.70 | RAB9A (0.53) | GAARAB9ANPC1MAPK1SMN1; SMN2 | |
| SCHEMBL3151995 | 0.70 | ALDH1A1 (0.38) | GAASMN1; SMN2ALDH1A1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL3770523 | 0.70 | L3MBTL1 (0.74) | CYP1A2CYP2C19CYP3A4CYP2C9GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | claimed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | claimed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | claimed |
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | 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-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRM5, GRIK5, GRM1 | CYP1A2 1379/4885CYP2C19 2566/4885CYP3A4 3327/4885 |
“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.