Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimethyl Sulfoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL312544 | 0.89 | — | — | |
| SCHEMBL611363 | 0.78 | CA2 (0.47) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL313345 | 0.77 | USP2 (0.61) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL1142936 | 0.75 | KDM4E (0.65) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL25344898 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL21070050 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL9253800 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL15887083 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL27187302 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 | |
| SCHEMBL10726607 | 0.73 | TSHR (0.62) | CA2CA9KDM4EUSP2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534138-B1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2017-01-25 | — | — | EP | disclosed |
| US-8809338-B2 | 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2014-08-19 | — | — | US | disclosed |
| US-20130040964-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2013-02-14 | — | — | US | disclosed |
| EP-2534138-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | Universita' Degli Studi di Firenze (IT) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098603-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2011-08-18 | — | — | 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-20130040964-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | ICAM1, ITGB3, VCAM1 | CA2 1502/4885CA9 538/4885KDM4E 3844/4885 |
“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.