Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL352423 | 0.78 | CA1 (0.38) | ALDH1A1CYP2D6 | |
| SCHEMBL29358193 | 0.78 | CA1 (0.38) | ALDH1A1CYP2D6 | |
| SCHEMBL3632529 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4ELANECYP2D6 | |
| SCHEMBL29639554 | 0.77 | CA1 (0.38) | ALDH1A1CYP2D6 | |
| SCHEMBL3631669 | 0.76 | ROCK2 (0.48) | ALDH1A1CYP1A2CYP3A4ELANE | |
| SCHEMBL2549044 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21114487 | 0.75 | GABRA1 (0.30) | — | |
| SCHEMBL29786734 | 0.75 | GABRA1 (0.30) | — | |
| SCHEMBL19469294 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL29355132 | 0.75 | POLB (0.36) | ALDH1A1CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231680-B1 | LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF | MASSACHUSETTS INST TECHNOLOGY (US) | 2018-03-28 | — | — | EP | disclosed |
| US-7858784-B2 | Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-28 | — | — | US | disclosed |
| US-7858784-B2 | Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-28 | — | — | US | disclosed |
| US-20090221820-A1 | Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-09-03 | — | — | US | disclosed |
| US-20090221820-A1 | Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-09-03 | — | — | US | 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-20090221820-A1 | Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof | SOD1, TIMCC, TST | ALDH1A1 2385/4885CYP1A2 796/4885CYP3A4 115/4885 |
“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.