Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 1.00 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28114804 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28241242 | 0.97 | CA1 (0.50) | CA1CA2USP2TSHRKDM4E | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28179907 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28142893 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL31396011 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5666892 | 0.97 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL3338728 | 0.94 | USP2 (0.48) | CA1CA2USP2TSHRKDM4E | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2461930 | 0.91 | TSHR (0.46) | CA1CA2USP2TSHRKDM4E | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL27450293 | 0.91 | CA1 (0.46) | CA1CA2USP2TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817427-A2 | METHOD FOR DETERMINING GENOTOXICITY | F. Hoffmann-Roche AG (CH) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006056340-A2 | METHOD FOR DETERMINING GENOTOXICITY | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-01 | — | — | WO | disclosed |