Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 11/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1547626 | 0.84 | RIPK1 (0.47) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL8230681 | 0.79 | RIPK1 (0.36) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL27709212 | 0.78 | P2RX7 (0.38) | RIPK1P2RX7 | |
| SCHEMBL424618 | 0.77 | CES2 (0.43) | CES2CES1RIPK1 | |
| SCHEMBL489658 | 0.76 | CES2 (0.37) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL17552654 | 0.76 | CES2 (0.37) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL3243936 | 0.75 | CES2 (0.38) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL146632 | 0.74 | RIPK1 (0.36) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL2974841 | 0.74 | CES2 (0.41) | CES2CES1RIPK1CA2P2RX7 | |
| SCHEMBL2974401 | 0.74 | RIPK1 (0.36) | CES2CES1RIPK1CA2P2RX7 |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116947678-A | Nitrogen-atom-disubstituted aromatic ring micromolecular organic compound, derivatives thereof and application of nitrogen-atom-disubstituted aromatic ring micromolecular organic compound in preparation of antibacterial drugs | 河南大学 | 2023-10-27 | — | — | CN | claimed |
| EP-2731436-B1 | 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS | VIIV HEALTHCARE UK LTD (GB) | 2017-03-08 | — | — | EP | claimed |
| US-9163023-B2 | Compounds and methods for treating HIV | VIIV HEALTHCARE UK LIMITED (GB) | 2015-10-20 | — | — | US | claimed |
| US-20150191469-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | VIIV HEALTHCARE UK LIMITED (GB) | 2015-07-09 | — | — | US | claimed |
| EP-2877468-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | VIIV Healthcare UK Limited (GB) | 2015-06-03 | — | — | EP | claimed |
| US-9029391-B2 | Isoquinoline compounds and methods for treating HIV | VIIV HEALTHCARE UK LIMITED (GB) | 2015-05-12 | — | — | US | claimed |
| EP-2731436-A1 | AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV | VIIV Healthcare UK Limited (GB) | 2014-05-21 | — | — | EP | claimed |
| WO-2014009794-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | VIIV HEALTHCARE UK LIMITED (GB) | 2014-01-16 | — | — | WO | claimed |
| US-8609653-B2 | Azaindole compounds and methods for treating HIV | GLAXOSMITHKLINE LLC (US) | 2013-12-17 | — | — | US | claimed |
| US-20130289027-A1 | Isoquinoline Compounds And Methods For Treating HIV | VIIV HEALTHCARE UK LIMITED (GB) | 2013-10-31 | — | — | US | claimed |
| WO-2013012649-A1 | AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV | GLAXOSMITHKLINE LLC (US) | 2013-01-24 | — | — | WO | claimed |
| US-20130018049-A1 | Azaindole Compounds and Methods for Treating HIV | GLAXOSMITHKLINE LLC (US) | 2013-01-17 | — | — | US | claimed |
| WO-2012102985-A1 | ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV | GLAXOSMITHKLINE LLC (US) | 2012-08-02 | — | — | WO | claimed |
| US-4956366-A | GASTROINTESTINAL DISORDERS, ANTISECRETORY AGENTS FOR GASTRIC ACID SECRETION | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-09-11 | — | — | US | claimed |
| EP-0299389-A2 | Substituted thieno-imidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors, gastric protecting agents and as medicaments against intestinal inflammation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-18 | — | — | EP | claimed |
| CN-116947678-A | Nitrogen-atom-disubstituted aromatic ring micromolecular organic compound, derivatives thereof and application of nitrogen-atom-disubstituted aromatic ring micromolecular organic compound in preparation of antibacterial drugs | 河南大学 | 2023-10-27 | — | — | CN | disclosed |
| EP-2841429-B1 | TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2020-10-21 | — | — | EP | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |
| US-4956366-A | GASTROINTESTINAL DISORDERS, ANTISECRETORY AGENTS FOR GASTRIC ACID SECRETION | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-09-11 | — | — | US | disclosed |
| EP-0299389-A2 | Substituted thieno-imidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors, gastric protecting agents and as medicaments against intestinal inflammation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-18 | — | — | 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 (3 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-20150191469-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | CCR5, CD4, HAVCR2 | CES2 12/4885CES1 845/4885RIPK1 2920/4885 |
| US-20130018049-A1 | Azaindole Compounds and Methods for Treating HIV | AZI2, TPMT, INMT | CES2 164/4885CES1 3266/4885RIPK1 1327/4885 |
| US-20130289027-A1 | Isoquinoline Compounds And Methods For Treating HIV | MAVS, CCR5, NFATC1 | CES2 225/4885CES1 2638/4885RIPK1 1589/4885 |
“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.