Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | DCUN1D1 | Q96GG9 | 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL6154362 | 0.82 | TSHR (0.41) | ALDH1A1MAPK1GAAMAPTHSD11B1 | |
| Isothiocyanate SCHEMBL2893068 | 0.82 | HTT (0.37) | ALDH1A1MAPK1TDP1CA1CA2 | |
| Isothiocyanate SCHEMBL2886977 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MAPK1TDP1CA1CA2 | |
| SCHEMBL29314 | 0.79 | — | — | |
| SCHEMBL29404525 | 0.79 | — | — | |
| Bromobenzene SCHEMBL6154095 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPK1TDP1MIFKDM4E | |
| Isothiocyanate SCHEMBL27973971 | 0.78 | CA2 (0.46) | ALDH1A1TDP1CA1CA2L3MBTL1 | |
| SCHEMBL9651341 | 0.75 | — | — | |
| SCHEMBL30007372 | 0.75 | — | — | |
| Lithium SCHEMBL9651351 | 0.75 | — | — |
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-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2005-03-24 | — | — | US | disclosed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | 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-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | PTPRS, PTPRJ, PTPRCAP | ALDH1A1 961/4885MAPK1 2027/4885TDP1 219/4885 |
“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.