Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL138442 | 0.92 | PTGS1 (0.44) | PTGS1PTGS2CA2CA1MMP1 | |
| SCHEMBL140649 | 0.78 | PTGS1 (0.47) | PTGS1PTGS2CA2CA1GRIA4 | |
| SCHEMBL13090062 | 0.77 | CA2 (0.42) | PTGS1PTGS2CA2CA1MAPT | |
| SCHEMBL139599 | 0.73 | PTGS1 (0.51) | PTGS1PTGS2CA2CA1MAPT | |
| SCHEMBL139635 | 0.72 | PTGS1 (0.59) | PTGS1PTGS2CA2CA1MAPT | |
| SCHEMBL138380 | 0.71 | CA2 (0.47) | PTGS1PTGS2CA2CA1GRIA4 | |
| SCHEMBL139634 | 0.70 | PTGS1 (0.46) | PTGS1PTGS2CA2CA1MAPT | |
| SCHEMBL20847614 | 0.68 | RAPGEF4 (0.35) | LMNARAPGEF4ALDH1A1 | |
| SCHEMBL141067 | 0.68 | CA2 (0.65) | CA2CA1CA12CYP1A2CYP3A4 | |
| SCHEMBL27529567 | 0.67 | CA1 (0.37) | CA2CA1MMP1MMP2MMP9 |
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.