Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.96 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.74 |
| ▸ | HRH1 | P35367 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29435901 | 0.98 | — | — | |
| SCHEMBL104220 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL4382779 | 0.96 | CHRNA7 (0.96) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| Bromide SCHEMBL4963429 | 0.96 | CHRNA7 (0.96) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2673021 | 0.96 | CHRNA7 (0.96) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL30567619 | 0.96 | CHRNA7 (0.96) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL28300299 | 0.90 | CHRNA7 (0.85) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL21379303 | 0.87 | CHRNA7 (0.79) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL1188053 | 0.85 | CYP2A6 (1.00) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL30393717 | 0.85 | CYP2A6 (1.00) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112062756-A | Mannhouse donor-acceptor adduct of furan and 3-pyridine ethylamine activated by Merlox acid and synthetic method thereof | 南京理工大学 | 2020-12-11 | — | — | CN | disclosed |
| EP-2794595-B1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |
| EP-2794595-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | Boehringer Ingelheim International GmbH (DE) | 2014-10-29 | — | — | EP | disclosed |
| US-8859559-B2 | Substituted pyrazines and their use in the treatment of disease | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-14 | — | — | US | disclosed |
| WO-2013092674-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |
| US-20130157981-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | 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 (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-20130157981-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | SCNN1B, SCNN1A, TRPM5 | CHRNA7 1326/4885CYP2A6 2164/4885HRH1 202/4885 |
“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.