Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.39 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.39 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29876780 | 0.87 | ESR1 (0.47) | MCL1CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL125041 | 0.87 | ESR1 (0.47) | MCL1CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL21920117 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| Methane SCHEMBL7936815 | 0.80 | CYP2A6 (0.48) | CYP1A2CYP2A6ALDH1A1GAAHPGD | |
| SCHEMBL15869807 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2A6ACHEESR1ESR2 | |
| SCHEMBL19202200 | 0.77 | TRPA1 (0.44) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL14742461 | 0.77 | CYP1A2 (0.54) | MCL1CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL12017090 | 0.76 | CYP2A6 (0.62) | CYP1A2CYP2A6ACHEESR1ESR2 | |
| SCHEMBL8340063 | 0.75 | TRPA1 (0.43) | CYP1A2CYP2A6ACHEESR1ESR2 | |
| SCHEMBL13021181 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2A6ESR1ESR2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8778876-B2 | Small-molecule inhibitors of Dengue and West Nile virus proteases | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778876-B2 | Small-molecule inhibitors of Dengue and West Nile virus proteases | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130035284-A1 | SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-02-07 | — | — | US | disclosed |
| US-20130035284-A1 | SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-02-07 | — | — | 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-20130035284-A1 | SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES | SPINT2, ADAM17, ADAM33 | MCL1 4294/4885CYP1A2 3045/4885CYP2A6 2605/4885 |
“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.