Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21049714 | 0.83 | TSHR (0.43) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL28133670 | 0.83 | MMP2 (0.46) | MMP2MMP13MMP9MMP8MMP3 | |
| SCHEMBL17158404 | 0.81 | TSHR (0.43) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL17161027 | 0.81 | TSHR (0.45) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL17160978 | 0.80 | TSHR (0.40) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL21089378 | 0.80 | RORC (0.42) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL17161059 | 0.80 | RORC (0.42) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL17161033 | 0.80 | TSHR (0.40) | MMP2MMP13MMP9MMP8CA1 | |
| SCHEMBL17158608 | 0.78 | TSHR (0.38) | TSHRHTTPKMPKLRCYP3A4 | |
| SCHEMBL17177767 | 0.78 | ALDH1A1 (0.41) | MMP2MMP13MMP9MMP8MMP3 |
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-106458956-B | The heterocycle sulfone that heteroaryl replaces | 格吕伦塔尔有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-106458956-A | Heteroaryl substituted heterocyclyl sulfones | 格吕伦塔尔有限公司 | 2017-02-22 | — | — | CN | disclosed |