Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29109670 | 0.83 | TDP1 (0.71) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL6454152 | 0.83 | TDP1 (0.71) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL707746 | 0.83 | TDP1 (0.71) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28996867 | 0.83 | GPR84 (0.60) | GPR84GRIK1GRIK2MMP2MMP3 | |
| SCHEMBL3189479 | 0.83 | GPR84 (0.60) | GPR84GRIK1GRIK2MMP2MMP3 | |
| SCHEMBL16057280 | 0.83 | GPR84 (0.60) | GPR84GRIK1GRIK2MMP2MMP3 | |
| SCHEMBL6744485 | 0.82 | FOLH1 (0.46) | TDP1FOLH1 | |
| SCHEMBL9766489 | 0.82 | HDAC1 (0.60) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28191888 | 0.81 | TDP1 (0.68) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Water SCHEMBL28136139 | 0.81 | TDP1 (0.68) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116218823-A | Nitrilase mutant, engineering bacterium and application thereof in synthesis of (R) -3-cyanohexanoic acid | 浙江工业大学 | 2023-06-06 | — | — | CN | disclosed |
| US-20090023737-A1 | Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands | NEUROGEN CORPORATION (US) | 2009-01-22 | — | — | US | disclosed |
| US-20090023737-A1 | Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands | NEUROGEN CORPORATION (US) | 2009-01-22 | — | — | US | disclosed |
| US-20090023737-A1 | Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands | NEUROGEN CORPORATION (US) | 2009-01-22 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-20070010477-A1 | Acyl homoserine lactones for inhibition of cell growth | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2007-01-11 | — | — | US | disclosed |
| EP-1713784-A1 | IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2006110531-A2 | ACYL HOMOSERINE LACTONES FOR INHIBITION OF CELL GROWTH | HEALTH RESEARCH INC. (US) | 2006-10-19 | — | — | WO | disclosed |
| US-7122546-B2 | Imidazol-1-ylmethyl pyridazine derivatives | NEUROGEN CORPORATION (US) | 2006-10-17 | — | — | US | disclosed |
| US-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2006-06-22 | — | — | US | disclosed |
| EP-1594848-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2005080355-A1 | IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005080355-A1 | IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-09-01 | — | — | WO | disclosed |
| EP-1549636-A1 | IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES | Neurogen Corporation (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004074259-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004074259-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2004-09-02 | — | — | WO | disclosed |
| US-20040077653-A1 | Imidazol-1-ylmethyl pyridazine derivatives | NEUROGEN CORPORATION | 2004-04-22 | — | — | US | disclosed |
| WO-2004031174-A1 | IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES | NEUROGEN CORPORATION (US) | 2004-04-15 | — | — | 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 (4 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-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | GABRA2, GABRA1, GABRA5 | CHRM1 276/4885AKR1A1 1070/4885CHRM3 235/4885 |
| US-20070010477-A1 | Acyl homoserine lactones for inhibition of cell growth | AHCYL1, HCCS, ACSL1 | CHRM1 4759/4885AKR1A1 388/4885CHRM3 4825/4885 |
| US-20090023737-A1 | Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands | GABRA4, GABRA2, GABRA5 | CHRM1 50/4885AKR1A1 998/4885CHRM3 122/4885 |
| US-20040077653-A1 | Imidazol-1-ylmethyl pyridazine derivatives | GABRA5, GABRA1, GABRA2 | CHRM1 152/4885AKR1A1 538/4885CHRM3 206/4885 |
“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.