Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 4/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5935898 | 0.84 | PDK1 (0.45) | CYP8B1DDB1CRBNPREPPDK1 | |
| SCHEMBL16790031 | 0.82 | PARP1 (0.44) | CYP8B1DDB1CRBNPREPPDK1 | |
| SCHEMBL16812695 | 0.81 | CYP8B1 (0.40) | CYP8B1PREPPDK1PDK2GPR119 | |
| SCHEMBL16790038 | 0.76 | DPP4 (0.38) | DDB1CRBNTACR1GPR119 | |
| SCHEMBL22536434 | 0.74 | PDK1 (0.56) | PDK1PDK2RORC | |
| SCHEMBL22536562 | 0.74 | PDK1 (0.56) | PDK1PDK2RORC | |
| SCHEMBL3134930 | 0.73 | CYP8B1 (0.54) | CYP8B1PDK2NR1H2 | |
| SCHEMBL16790053 | 0.70 | DPP4 (0.49) | CYP8B1GPR119RORCNR1H2 | |
| SCHEMBL5653362 | 0.68 | DPP4 (0.49) | CYP8B1GPR119 | |
| SCHEMBL19877142 | 0.68 | HPGD (0.54) | CYP8B1 |
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 | CYP8B1 982/4885DDB1 3135/4885CRBN 4598/4885 |
“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.