Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | MMP9 | P14780 | 10/20 | 0.51 |
| ▸ | MMP13 | P45452 | 10/20 | 0.51 |
| ▸ | MMP1 | P03956 | 9/20 | 0.51 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11986343 | 0.81 | PKM (0.50) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL752793 | 0.79 | PKM (0.61) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL754571 | 0.79 | PKM (0.61) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL14223633 | 0.77 | BCAT1 (0.44) | PKMMMP9MMP13MMP1ALDH1A1 | |
| SCHEMBL1464319 | 0.75 | PKM (0.52) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL12725103 | 0.75 | PKM (0.61) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL14345059 | 0.73 | PKM (0.59) | PKMMMP9MMP13MMP1ALDH1A1 | |
| Sulfuric Acid SCHEMBL28495378 | 0.73 | PKM (0.53) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL1464174 | 0.72 | MMP13 (0.50) | PKMMMP9MMP13MMP1ADAM17 | |
| SCHEMBL14227521 | 0.72 | PKM (0.57) | PKMMMP9MMP13MMP1ADAM17 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247234-B2 | Isotopically labeled compositions and method | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2012-08-21 | — | — | US | disclosed |
| US-20110269985-A1 | ISOTOPICALLY LABELED COMPOSITIONS AND METHOD | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-11-03 | — | — | US | disclosed |
| US-7977102-B2 | Isotopically labeled compositions and method | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-07-12 | — | — | US | disclosed |
| US-20080311666-A1 | Isotopically labeled compositions and method | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2008-12-18 | — | — | 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 (2 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-20110269985-A1 | ISOTOPICALLY LABELED COMPOSITIONS AND METHOD | SRMS, NES, RPS27A | PKM 2597/4885MMP9 4829/4885MMP13 4125/4885 |
| US-20080311666-A1 | Isotopically labeled compositions and method | SRMS, NES, RPS27A | PKM 2597/4885MMP9 4829/4885MMP13 4125/4885 |
“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.