Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL11986324 | 0.88 | ACHE (0.39) | ACHECA1CA2CA7CA9 | |
| SCHEMBL7329519 | 0.82 | ACHE (0.42) | ACHECA1CA2CA7CA9 | |
| SCHEMBL20442539 | 0.79 | ACHE (0.40) | ACHECA1CA2CA7CA9 | |
| SCHEMBL3167321 | 0.79 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL28464622 | 0.78 | MAOB (0.50) | TAAR1IDO1AGXTMAOBCHRM2 | |
| SCHEMBL31053094 | 0.78 | TSHR (0.37) | ACHECA1CA2CA7CA9 | |
| SCHEMBL2577656 | 0.77 | ACHE (0.48) | ACHECA1CA2CA7CA9 | |
| SCHEMBL9112728 | 0.77 | ACHE (0.48) | ACHECA1CA2CA7CA9 | |
| SCHEMBL23912801 | 0.76 | ACHE (0.47) | ACHECA1CA2CA7CA9 | |
| SCHEMBL20048775 | 0.76 | ALDH1A1 (0.50) | ACHECA1CA2CA7CA9 |
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-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 |
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-20110269985-A1 | ISOTOPICALLY LABELED COMPOSITIONS AND METHOD | SRMS, NES, RPS27A | ACHE 3811/4885CA1 2822/4885CA2 4314/4885 |
“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.