Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL139635 | 0.83 | PTGS1 (0.59) | PTGS1PTGS2CA2MEN1KMT2A | |
| SCHEMBL140452 | 0.80 | MEN1 (0.55) | PTGS1PTGS2CA2MEN1KMT2A | |
| SCHEMBL16264672 | 0.80 | MEN1 (0.46) | CA2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL141067 | 0.76 | CA2 (0.65) | CA2MEN1KMT2AALDH1A1CA1 | |
| SCHEMBL14902028 | 0.75 | MEN1 (0.71) | MEN1KMT2AALDH1A1CA9GAA | |
| SCHEMBL29443422 | 0.75 | KDM4E (0.50) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL28701150 | 0.75 | PTGS1 (0.42) | PTGS1PTGS2CA2CA1CA5A | |
| SCHEMBL139618 | 0.74 | CYP19A1 (0.50) | PTGS1PTGS2CA2KMT2AALDH1A1 | |
| SCHEMBL140753 | 0.73 | PTGS1 (0.42) | PTGS1PTGS2CA2MEN1KMT2A | |
| SCHEMBL19814708 | 0.71 | EPHX1 (0.45) | 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.