Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327209 | 0.80 | CA12 (0.54) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7379004 | 0.80 | CA12 (0.54) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11986317 | 0.74 | CA12 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18738928 | 0.74 | TDP1 (0.41) | ACHECYP1A2CYP2A6KDM4ERAPGEF4 | |
| SCHEMBL23732611 | 0.72 | KDM4E (0.46) | CA1CA2KDM4EGAAALDH1A1 | |
| SCHEMBL3193543 | 0.72 | GAA (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27348288 | 0.71 | ALDH1A1 (0.33) | RAPGEF4ALDH1A1 | |
| SCHEMBL20220003 | 0.71 | ALDH1A1 (0.50) | CA1CA9CA12ACHECYP2A6 | |
| SCHEMBL27431129 | 0.71 | CYP3A4 (0.45) | CYP2A6KDM4ERAPGEF4GAAALDH1A1 | |
| Tolmesoxide SCHEMBL2109962 | 0.71 | ACHE (0.37) | CA1CA2CA7CA9CA12 |
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 3 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 |
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 | CA1 2822/4885CA2 4314/4885CA7 3214/4885 |
“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.