Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3042828 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1HRH3SLC2A1ROCK2 | |
| Trifluoroacetic Acid SCHEMBL3050323 | 0.85 | SLC2A1 (0.51) | SLC2A1HTR5A | |
| Trifluoroacetic Acid SCHEMBL3039719 | 0.84 | MEN1 (0.43) | HRH3SLC2A1HTR5A | |
| SCHEMBL13136985 | 0.83 | CDK1 (0.47) | KDM4EALDH1A1HRH3HSD11B1CDK1 | |
| SCHEMBL13136984 | 0.83 | CDK1 (0.47) | KDM4EALDH1A1HRH3HSD11B1CDK1 | |
| Trifluoroacetic Acid SCHEMBL3049052 | 0.81 | HRH3 (0.48) | HRH3SLC2A1HTR5A | |
| Trifluoroacetic Acid SCHEMBL3047523 | 0.81 | HRH3 (0.48) | HRH3SLC2A1HTR5A | |
| Trifluoroacetic Acid SCHEMBL3041840 | 0.78 | CCR2 (0.38) | HRH3SLC2A1CCR2HTR5ARAD52 | |
| SCHEMBL3050325 | 0.78 | HSD11B1 (0.33) | SLC2A1HTR5AHSD11B1 | |
| Trifluoroacetic Acid SCHEMBL3050294 | 0.77 | HDAC6 (0.42) | SLC2A1ROCK2ROCK1HTR5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | 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-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | KDM4E 3474/4885ALDH1A1 3109/4885HRH3 406/4885 |
“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.