Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 7/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL139624 | 0.79 | PTGS1 (0.53) | PTGS1PTGS2CA2MEN1KMT2A | |
| SCHEMBL138380 | 0.76 | CA2 (0.47) | PTGS1PTGS2CA2CNR2CNR1 | |
| SCHEMBL140649 | 0.76 | PTGS1 (0.47) | PTGS1PTGS2CA2CNR2CNR1 | |
| SCHEMBL141242 | 0.75 | PTGS1 (0.58) | PTGS1PTGS2CA2MEN1KMT2A | |
| SCHEMBL138442 | 0.73 | PTGS1 (0.44) | PTGS1PTGS2CA2CNR2CNR1 | |
| SCHEMBL2885472 | 0.71 | PKM (0.34) | PTGS1PTGS2MEN1KMT2ALMNA | |
| SCHEMBL139697 | 0.71 | PTGS1 (0.48) | PTGS1PTGS2CA2CNR2CNR1 | |
| SCHEMBL139626 | 0.70 | CA2 (0.45) | PTGS1PTGS2CA2CNR2CNR1 | |
| SCHEMBL138386 | 0.70 | CA2 (0.42) | PTGS1PTGS2CA2GRIA4LMNA | |
| SCHEMBL140753 | 0.70 | PTGS1 (0.42) | PTGS1PTGS2CA2MEN1KMT2A |
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 | PTGS1 4856/4885PTGS2 4566/4885CA2 3314/4885 |
“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.