Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 5/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL4268207 | 0.89 | VCAM1 (0.42) | VCAM1MERTKMAPTALDH1A1HSPB1 | |
| SCHEMBL3016476 | 0.85 | VCAM1 (0.44) | VCAM1MERTKMAPTHSPB1EPAS1 | |
| SCHEMBL3636393 | 0.85 | MAPT (0.39) | VCAM1MERTKMAPTALDH1A1MEN1 | |
| SCHEMBL1194672 | 0.82 | EPAS1 (0.37) | VCAM1MERTKMAPTALDH1A1HSPB1 | |
| SCHEMBL12135916 | 0.77 | MAPT (0.37) | VCAM1MERTKMAPTHSPB1EPAS1 | |
| Valine SCHEMBL5207123 | 0.77 | SMN1; SMN2 (0.35) | VCAM1MERTKMAPTALDH1A1MEN1 | |
| SCHEMBL13492243 | 0.75 | MAPT (0.42) | VCAM1MERTKMAPTALDH1A1MEN1 | |
| SCHEMBL3035964 | 0.75 | CYP3A4 (0.48) | VCAM1MERTKMAPTEPAS1 | |
| SCHEMBL3640707 | 0.74 | MAPT (0.44) | VCAM1MERTKMAPTALDH1A1EPAS1 | |
| SCHEMBL13492245 | 0.72 | MAPT (0.34) | VCAM1MERTKMAPTEPAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2164835-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. Hoffmann-Roche AG (CH) | 2010-03-24 | — | — | EP | claimed |
| US-20090012304-A1 | preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | claimed |
| WO-2008145563-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-04 | — | — | WO | claimed |
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-20090012304-A1 | preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes | POLRMT, TYMS, POLR1G | VCAM1 2150/4885MERTK 3417/4885MAPT 2724/4885 |
“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.