Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 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 | |
|---|---|---|---|---|
| SCHEMBL1738013 | 0.69 | AHR (0.47) | TRPA1AHRPDK2TDP2CASP3 | |
| SCHEMBL29911790 | 0.69 | TRPA1 (0.59) | TRPA1MAOAMAOBCYP1A2 | |
| SCHEMBL642263 | 0.69 | TRPA1 (0.59) | TRPA1MAOAMAOBCYP1A2 | |
| Hydrochloric Acid SCHEMBL11023474 | 0.68 | TRPA1 (0.57) | TRPA1MAOAMAOBCYP1A2 | |
| SCHEMBL19925313 | 0.68 | — | — | |
| SCHEMBL29696017 | 0.67 | PARP1 (0.42) | TRPA1MAOB | |
| SCHEMBL213709 | 0.67 | PARP1 (0.42) | TRPA1MAOB | |
| SCHEMBL3707900 | 0.67 | TRPA1 (0.46) | TRPA1AHRPDK2MAOAMAOB | |
| SCHEMBL3132084 | 0.67 | GAA (0.54) | TRPA1AHRPDK2TDP2CASP3 | |
| SCHEMBL6488209 | 0.65 | PARP1 (0.41) | TRPA1MAOB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9890147-B2 | 2,3-benzodiazepines | BAYER PHARMA AKTIENGESELLSHAFT (DE) | 2018-02-13 | — | — | US | disclosed |
| WO-2017063959-A1 | N-SULPHOXIMINOPHENYL-SUBSTITUTED BENZODIAZEPINE DERIVATIVES AS BET PROTEIN INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-04-20 | — | — | WO | disclosed |
| EP-2885286-B1 | 2,3-BENZODIAZEPINES | Bayer Pharma AG (DE) | 2017-03-22 | — | — | EP | disclosed |
| US-20160129011-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | Bayer Pharma AG (DE) | 2016-05-12 | — | — | US | disclosed |
| US-20160009725-A1 | PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-01-14 | — | — | US | disclosed |
| US-20150376196-A1 | 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES | Bayer Pharma AG (DE) | 2015-12-31 | — | — | US | disclosed |
| EP-2958909-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | Bayer Pharma Aktiengesellschaft (DE) | 2015-12-30 | — | — | EP | disclosed |
| US-20150203483-A1 | 2,3-BENZODIAZEPINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-07-23 | — | — | US | disclosed |
| CN-104583194-A | Pyridazine and pyridine derivatives as NAMPT inhibitors | ABBVIE INC | 2015-04-29 | — | — | CN | disclosed |
| WO-2014128067-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2014-08-28 | — | — | WO | disclosed |
| US-7750024-B2 | Remedy for glioblastoma | ASTELLAS PHARMA INC. (JP) | 2010-07-06 | — | — | US | disclosed |
| US-20050165009-A1 | Remedy for glioblastoma | ASTELLAS PHARMA INC. (JP) | 2005-07-28 | — | — | 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 (5 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-20160129011-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | BRD4, BRDT, BICRA | TRPA1 2842/4885AHR 993/4885PDK2 782/4885 |
| US-20160009725-A1 | PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES | BRDT, BRD3, BRD1 | TRPA1 4385/4885AHR 2142/4885PDK2 1337/4885 |
| US-20150203483-A1 | 2,3-BENZODIAZEPINES | BRD4, BET1, BRDT | TRPA1 3482/4885AHR 1562/4885PDK2 1592/4885 |
| US-20050165009-A1 | Remedy for glioblastoma | GRM2, GRM1, GRM3 | TRPA1 2450/4885AHR 4530/4885PDK2 954/4885 |
| US-20150376196-A1 | 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES | BRDT, BRD4, BRD3 | TRPA1 4350/4885AHR 2683/4885PDK2 1398/4885 |
“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.