Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29269373 | 0.87 | NLRP3 (0.42) | NLRP3CDC7DBF4SMN1; SMN2KMT2A | |
| SCHEMBL21946221 | 0.86 | NLRP3 (0.41) | NLRP3NPC1RAB9ACYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28362858 | 0.85 | NLRP3 (0.40) | NLRP3NPC1RAB9ACYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28362857 | 0.85 | NLRP3 (0.40) | NLRP3NPC1RAB9ACYP1A2ALDH1A1 | |
| SCHEMBL18039145 | 0.83 | CYP1A2 (0.55) | NLRP3CDC7DBF4SMN1; SMN2KMT2A | |
| SCHEMBL14338236 | 0.81 | ADORA3 (0.39) | NLRP3SMN1; SMN2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL1768809 | 0.79 | CYP1A2 (0.50) | KMT2ACYP1A2CYP2C9HIF1AMEN1 | |
| SCHEMBL1768807 | 0.79 | CYP1A2 (0.50) | KMT2ACYP1A2CYP2C9HIF1AMEN1 | |
| SCHEMBL10467278 | 0.79 | PTPRA (0.50) | SMN1; SMN2KMT2ACYP1A2CYP2C9HIF1A | |
| SCHEMBL1693012 | 0.79 | PTPRA (0.50) | SMN1; SMN2KMT2ACYP1A2CYP2C9HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10669242-B2 | Clostridium difficile toxin inhibitors | Venenum Biodesign, LLC (US) | 2020-06-02 | — | — | US | disclosed |
| US-20190194147-A1 | Novel Clostridium Difficile Toxin Inhibitors | Venenum Biodesign, LLC (US) | 2019-06-27 | — | — | US | disclosed |
| WO-2017214359-A1 | NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS | VENENUM BIODESIGN LLC (US) | 2017-12-14 | — | — | 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 (2 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-20190194147-A1 | Novel Clostridium Difficile Toxin Inhibitors | GABRA5, GABRA1, GABRA4 | NLRP3 1891/4885CDC7 3353/4885DBF4 1660/4885 |
| US-10669242-B2 | Clostridium difficile toxin inhibitors | GABRA5, GABRA1, GABBR2 | NLRP3 2221/4885CDC7 3525/4885DBF4 1781/4885 |
“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.