Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | CD38 | P28907 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL138380 | 0.89 | CA2 (0.47) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL139624 | 0.81 | PTGS1 (0.53) | CA2PTGS1PTGS2LMNA | |
| SCHEMBL139626 | 0.81 | CA2 (0.45) | CA2PTGS1PTGS2GRIA4KAT6A | |
| SCHEMBL140649 | 0.81 | PTGS1 (0.47) | CA2PTGS1PTGS2GRIA4KAT6A | |
| SCHEMBL21136458 | 0.78 | HTT (0.45) | PTGS2SLC22A12CD38CYP3A4KCNH2 | |
| SCHEMBL139691 | 0.78 | KDM1A (0.45) | CA2PTGS1PTGS2SLC22A12GRIA4 | |
| SCHEMBL138377 | 0.76 | NPSR1 (0.46) | CA2LMNA | |
| SCHEMBL14018390 | 0.75 | CD38 (0.43) | PTGS2SLC22A12CD38CYP3A4KCNH2 | |
| SCHEMBL138368 | 0.73 | LMNA (0.68) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL13090062 | 0.73 | CA2 (0.42) | CA2PTGS1PTGS2GRIA4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059179-A1 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | The Scripps Research Insitiute (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2010115098-A2 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-10-07 | — | — | 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 (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-20120059179-A1 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | POF1B, OCIAD2, ODC1 | CA2 3314/4885PTGS1 4856/4885PTGS2 4566/4885 |
“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.