Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 6/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 2/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16790044 | 0.83 | DPP4 (0.42) | PARP1DPP4DPP8DPP9DPP7 | |
| SCHEMBL5935844 | 0.81 | DPP4 (0.49) | PARP1DPP4DPP8DPP9TACR1 | |
| SCHEMBL16790054 | 0.81 | DPP4 (0.40) | PARP1DPP4DPP8DPP9DPP7 | |
| SCHEMBL16789997 | 0.79 | DPP4 (0.39) | PARP1DPP4DPP8DPP9 | |
| SCHEMBL5637318 | 0.71 | NR1H2 (0.59) | PARP1NR1H2NR1H3DPP4KLK7 | |
| SCHEMBL273407 | 0.71 | NR1H2 (0.59) | PARP1NR1H2NR1H3DPP4KLK7 | |
| SCHEMBL271604 | 0.71 | NR1H2 (0.59) | PARP1NR1H2NR1H3DPP4KLK7 | |
| SCHEMBL16789995 | 0.71 | DPP4 (0.41) | PARP1DPP4DPP8DPP9CETP | |
| SCHEMBL29997797 | 0.70 | KLK7 (0.51) | PARP1NR1H2NR1H3KLK7KLK5 | |
| SCHEMBL24723803 | 0.70 | KLK7 (0.53) | NR1H2NR1H3DPP4KLK7KLK5 |
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-9255106-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as PARP-1 inhibitors | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2016-02-09 | — | — | US | disclosed |
| US-20150166544-A1 | PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) | 2015-06-18 | — | — | US | disclosed |
| US-20150166544-A1 | PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) | 2015-06-18 | — | — | US | disclosed |
| EP-2881395-A1 | PIPERAZINOTRIZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2015-06-10 | — | — | EP | 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-20150166544-A1 | PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | PARP1, PARP11, PARP8 | PARP1 1/4885NR1H2 1785/4885NR1H3 1688/4885 |
“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.