Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 8/20 | 0.36 |
| ▸ | MAPT | P10636 | 8/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11986331 | 0.79 | CA1 (0.40) | ACHEALDH1A1L3MBTL1MAPK1TDP1 | |
| SCHEMBL11986333 | 0.74 | CA2 (0.39) | ACHEALDH1A1CYP3A4MAPTMAPK1 | |
| SCHEMBL11986338 | 0.74 | CA2 (0.39) | ACHEALDH1A1CYP3A4MAPTMAPK1 | |
| SCHEMBL11986335 | 0.73 | SLC2A1 (0.34) | ALDH1A1CYP3A4MAPTHPGDKDM4E | |
| SCHEMBL11986316 | 0.66 | IDO1 (0.33) | HSD17B10 | |
| SCHEMBL11986350 | 0.66 | KMT2A (0.51) | L3MBTL1HPGDMAPK1POLBMEN1 | |
| SCHEMBL11986324 | 0.64 | ACHE (0.39) | ACHEALDH1A1CYP3A4LMNA | |
| SCHEMBL3182131 | 0.64 | ACHE (0.48) | ACHEALDH1A1CYP3A4L3MBTL1MAPT | |
| SCHEMBL8282401 | 0.63 | ACHE (0.58) | ACHEALDH1A1CYP3A4L3MBTL1MAPT | |
| SCHEMBL29403877 | 0.62 | ACHE (1.00) | ACHEALDH1A1CYP3A4L3MBTL1MAPT |
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 3811/4885ALDH1A1 3543/4885CYP3A4 967/4885 |
“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.