Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 5/20 | 0.39 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954068 | 0.83 | TAAR1 (0.47) | CYP3A4TAAR1CHRNB2CHRNA4 | |
| SCHEMBL3781719 | 0.79 | CHRNB2 (0.61) | TAAR1CHRNB2CHRNA4PTGDR2PTGDR | |
| SCHEMBL3027965 | 0.79 | CHRNB2 (0.40) | CYP3A4TAAR1CHRNB2CHRNA4 | |
| SCHEMBL17656948 | 0.78 | CHRNB2 (0.33) | CYP3A4TAAR1CHRNB2CHRNA4HTR2C | |
| SCHEMBL18326644 | 0.78 | AVPR1A (0.47) | — | |
| SCHEMBL7687548 | 0.77 | TP53 (0.50) | CYP3A4CHRNB2CHRNA4 | |
| SCHEMBL16956272 | 0.77 | DRD2 (0.47) | CHRNB2CHRNA4PTGDR2HTR2C | |
| SCHEMBL30997823 | 0.77 | TP53 (0.46) | CYP3A4TAAR1CHRNB2CHRNA4PTGDR2 | |
| SCHEMBL9911450 | 0.77 | TP53 (0.46) | CYP3A4TAAR1CHRNB2CHRNA4PTGDR2 | |
| SCHEMBL12896980 | 0.77 | NR1H4 (0.38) | CHRNB2CHRNA4PTGDR2PTGDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022115620-A1 | 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2022-06-02 | — | — | WO | disclosed |
| US-20160009639-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | METABASIS THERAPEUTICS INC (US) | 2016-01-14 | — | — | US | disclosed |
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2008098244-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | METABASIS THERAPEUTICS, INC. (US) | 2008-08-14 | — | — | 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 (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-20160009639-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | GLP1R, GCGR, GPR119 | CYP3A4 2444/4885TAAR1 452/4885CHRNB2 1327/4885 |
“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.