Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 7/20 | 0.45 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.44 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8185797 | 0.83 | KCNH2 (0.50) | CYP2C9PTGDR2KCNH2GRM5HAO1 | |
| SCHEMBL30055393 | 0.82 | HSP90AA1 (0.60) | CYP2C9PTGDR2KCNH2PTGESERCC5 | |
| SCHEMBL27167246 | 0.82 | HSP90AA1 (0.60) | CYP2C9PTGDR2KCNH2PTGESERCC5 | |
| SCHEMBL29961183 | 0.79 | GRM5 (0.44) | CYP2C9PTGDR2KCNH2GRM5HAO1 | |
| SCHEMBL28909485 | 0.79 | KCNH2 (0.46) | CYP2C9PTGDR2KCNH2GRM5PTGES | |
| SCHEMBL28500263 | 0.79 | GRM5 (0.44) | CYP2C9PTGDR2KCNH2GRM5HAO1 | |
| SCHEMBL11544870 | 0.79 | GRM5 (0.48) | CYP2C9PTGDR2KCNH2GRM5HAO1 | |
| SCHEMBL31390448 | 0.79 | KCNH2 (0.46) | CYP2C9PTGDR2KCNH2GRM5PTGES | |
| SCHEMBL4562631 | 0.79 | KCNH2 (0.67) | CYP2C9PTGDR2KCNH2GRM5HAO1 | |
| SCHEMBL30707869 | 0.79 | KCNH2 (0.67) | CYP2C9PTGDR2KCNH2GRM5HAO1 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108424367-B | Method for preparing propiolic acid and derivatives thereof under mild condition | 中国科学院化学研究所 | 2020-08-18 | — | — | CN | disclosed |
| US-20200207769-A1 | DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2020-07-02 | — | — | US | disclosed |
| US-10633384-B2 | Diazaspirocycloalkane and azaspirocycloalkane | HOFFMANN-LA ROCHE INC. (US) | 2020-04-28 | — | — | US | disclosed |
| US-20170029425-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2017-02-02 | — | — | US | disclosed |
| EP-2861566-B1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN LA ROCHE (CH) | 2016-12-21 | — | — | EP | disclosed |
| US-9493486-B2 | Diazaspirocycloalkane and azaspirocycloalkane | HOFFMANN-LA ROCHES INC. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2606025-B1 | PROCESS FOR PREPARING A PROPIOLIC ACID OR A DERIVATIVE THEREOF | BASF SE (DE) | 2016-10-12 | — | — | EP | disclosed |
| US-9073844-B2 | Process for preparing a propiolic acid or a derivative thereof | BASF SE (DE) | 2015-07-07 | — | — | US | disclosed |
| US-20150099734-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2015-04-09 | — | — | US | disclosed |
| US-20140012000-A1 | PROCESS FOR PREPARING A PROPIOLIC ACID OR A DERIVATIVE THEREOF | BASF SE (DE) | 2014-01-09 | — | — | US | disclosed |
| EP-1968938-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1968963-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS | Grünenthal GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| WO-2007079958-A1 | SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079960-A1 | SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079957-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079959-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | 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 (6 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-20200207769-A1 | DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | ENPP2, DAPK1, DAPK2 | CYP2C9 4760/4885PTGDR2 3999/4885KCNH2 3381/4885 |
| US-20170029425-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | ENPP2, DAPK1, DAPK2 | CYP2C9 4825/4885PTGDR2 4151/4885KCNH2 3175/4885 |
| US-10633384-B2 | Diazaspirocycloalkane and azaspirocycloalkane | ENPP2, DAPK1, DAPK2 | CYP2C9 4760/4885PTGDR2 3999/4885KCNH2 3381/4885 |
| US-20150099734-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | DAPK2, DAPK1, IDH3A | CYP2C9 1066/4885PTGDR2 1122/4885KCNH2 422/4885 |
| US-20140012000-A1 | PROCESS FOR PREPARING A PROPIOLIC ACID OR A DERIVATIVE THEREOF | PCCA, C9, AOC3 | CYP2C9 2016/4885PTGDR2 666/4885KCNH2 1960/4885 |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRM5, GRIK5, GRM1 | CYP2C9 3004/4885PTGDR2 55/4885KCNH2 359/4885 |
“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.