Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.67 |
| ▸ | CA2 | P00918 | 3/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | HTR6 | P50406 | 2/20 | 0.59 |
| ▸ | FABP4 | P15090 | 3/20 | 0.58 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | FABP3 | P05413 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857256 | 0.85 | CA1 (0.65) | CA1CA2PTGS1PTGS2HTR6 | |
| SCHEMBL6045346 | 0.84 | CA1 (0.94) | CA1CA2HTR6FABP4HDAC1 | |
| SCHEMBL31554283 | 0.82 | FABP4 (0.59) | PTGS1PTGS2FABP4FABP3 | |
| SCHEMBL3853296 | 0.81 | CA1 (0.59) | CA1CA2PTGS1PTGS2HTR6 | |
| SCHEMBL6925477 | 0.79 | PTGS1 (0.65) | CA1CA2PTGS1PTGS2FABP4 | |
| SCHEMBL3859121 | 0.78 | HTR6 (0.67) | CA1CA2PTGS1PTGS2HTR6 | |
| SCHEMBL3318218 | 0.78 | PTGS1 (0.53) | CA1CA2PTGS1PTGS2HTR6 | |
| SCHEMBL27568575 | 0.77 | PTGDR2 (0.69) | — | |
| Acetic Acid SCHEMBL9518648 | 0.77 | CA1 (0.78) | CA1CA2HTR6FABP4FABP3 | |
| SCHEMBL5319783 | 0.76 | PTGS1 (0.48) | CA1CA2PTGS1PTGS2HTR6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1058678-B1 | METAL-CATALYZED ARYLATIONS AND VINYLATIONS OF HYDRAZINES, HYDRAZONES, HYDROXYLAMINES AND OXIMES | MASSACHUSETTS INST TECHNOLOGY (US) | 2002-12-11 | — | — | EP | disclosed |
| US-6465693-B2 | TRANSITION METAL CATALYZED ARYLATION OR VINYLATION; COMBINATORIAL CHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-10-15 | — | — | US | disclosed |
| US-20010031894-A1 | Metal-catalyzed arylations of hydrazines, hydrazones, and related substrates | BUCHWALD STEPHEN L (US) | 2001-10-18 | — | — | US | disclosed |
| US-6235936-B1 | TRANSITION METAL CATALYST FOR ARYLATION | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-05-22 | — | — | US | disclosed |
| EP-1058678-A2 | METAL-CATALYZED ARYLATIONS AND VINYLATIONS OF HYDRAZINES, HYDRAZONES, HYDROXYLAMINES AND OXIMES | Massachusetts Institute of Technology (US) | 2000-12-13 | — | — | EP | disclosed |
| WO-1999043643-A2 | METAL-CATALYZED ARYLATIONS AND VINYLATIONS OF HYDRAZINES, HYDRAZONES, HYDROXYLAMINES AND OXIMES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-09-02 | — | — | 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-20010031894-A1 | Metal-catalyzed arylations of hydrazines, hydrazones, and related substrates | IDO1, IDO2, AHR | CA1 749/4885CA2 288/4885PTGS1 2384/4885 |
“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.