Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 9/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12688354 | 0.92 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL1498397 | 0.90 | CA1 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498300 | 0.81 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28133670 | 0.80 | MMP2 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12692910 | 0.78 | HTT (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498458 | 0.77 | CA1 (0.43) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12692949 | 0.77 | CA1 (0.43) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1498437 | 0.76 | MMP2 (0.43) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL16875326 | 0.76 | RORC (0.61) | RORC | |
| SCHEMBL1498307 | 0.75 | RORC (0.50) | CA1CA2MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106458955-B | Aryl substituted heterocyclyl sulfones | 格吕伦塔尔有限公司 | 2019-07-19 | — | — | CN | claimed |
| CN-106458955-B | Aryl substituted heterocyclyl sulfones | 格吕伦塔尔有限公司 | 2019-07-19 | — | — | CN | disclosed |