Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 11/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 11/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 6/20 | 0.32 |
| ▸ | PDE2A | O00408 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3046204 | 0.83 | HTR5A (0.36) | SLC6A9HTR1AHTR1DHTR1BHTR5A | |
| SCHEMBL3044505 | 0.82 | HTR5A (0.35) | SLC6A9HTR1AHTR1DHTR1BHTR5A | |
| SCHEMBL3829848 | 0.80 | HSD11B1 (0.33) | P2RY14 | |
| Trifluoroacetic Acid SCHEMBL3047291 | 0.79 | HTR5A (0.41) | PDE3BPDE3AP2RY14HTR5AALDH1A1 | |
| SCHEMBL3046290 | 0.79 | QPCTL (0.38) | HDAC1HDAC2 | |
| SCHEMBL3042668 | 0.79 | P2RY14 (0.33) | PDE3BPDE3AP2RY14P2RY12PDE2A | |
| SCHEMBL3048938 | 0.77 | MELK (0.32) | — | |
| SCHEMBL3049056 | 0.76 | TEK (0.34) | — | |
| SCHEMBL3047524 | 0.76 | TEK (0.34) | — | |
| Hydrochloric Acid SCHEMBL3048543 | 0.75 | NFE2L2 (0.38) | PDE3BPDE3AHTR1AHTR1DHTR1B |
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 | ESR1 450/4885SLC6A9 1865/4885PDE3B 810/4885 |
“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.