Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 3/20 | 0.53 |
| ▸ | MMP9 | P14780 | 3/20 | 0.53 |
| ▸ | MMP14 | P50281 | 2/20 | 0.53 |
| ▸ | MMP7 | P09237 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.48 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27656352 | 0.89 | CA2 (0.50) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL9462619 | 0.85 | ALPL (0.51) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL2374919 | 0.85 | ALPL (0.51) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL27599573 | 0.85 | ALPL (0.51) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL27676484 | 0.85 | CA2 (0.59) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL14401514 | 0.84 | ENPP1 (0.48) | CA2MMP2MMP9MMP14MMP7 | |
| SCHEMBL11599122 | 0.82 | MMP2 (0.51) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL28263538 | 0.82 | MMP2 (0.51) | CA2MMP2MMP9MMP14MMP7 | |
| SCHEMBL27611233 | 0.82 | NQO1 (0.54) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL27623176 | 0.82 | CA2 (0.52) | CA2CA1CA9MMP2MMP9 |
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-1204636-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001014327-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2001-03-01 | — | — | WO | disclosed |