Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.46 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL141242 | 0.84 | PTGS1 (0.58) | PTGS1PTGS2ALDH1A1POLBHPGD | |
| SCHEMBL30728407 | 0.81 | CNR1 (0.44) | PTGS1PTGS2ALDH1A1KMT2ATP53 | |
| SCHEMBL138368 | 0.81 | LMNA (0.68) | PTGS1PTGS2POLBKMT2AL3MBTL1 | |
| SCHEMBL140452 | 0.79 | MEN1 (0.55) | PTGS1PTGS2ALDH1A1HPGDKMT2A | |
| SCHEMBL139590 | 0.79 | HPGD (0.51) | PTGS1PTGS2HPGDKMT2AL3MBTL1 | |
| SCHEMBL138377 | 0.79 | NPSR1 (0.46) | ALDH1A1HPGDKMT2ACA2LMNA | |
| SCHEMBL17201441 | 0.77 | CA2 (0.55) | CA2LMNA | |
| SCHEMBL20906520 | 0.77 | CA2 (0.64) | HPGDKMT2AMAPK1CA2LMNA | |
| SCHEMBL15836453 | 0.76 | CA2 (0.42) | PTGS1PTGS2ALDH1A1POLBKMT2A | |
| SCHEMBL138372 | 0.76 | KDM4E (0.61) | ALDH1A1POLBKMT2ATP53L3MBTL1 |
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 4566/4885ALDH1A1 3393/4885 |
“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.