Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 3/20 | 0.52 |
| ▸ | MMP7 | P09237 | 4/20 | 0.50 |
| ▸ | MMP2 | P08253 | 4/20 | 0.50 |
| ▸ | MMP14 | P50281 | 3/20 | 0.50 |
| ▸ | MMP1 | P03956 | 6/20 | 0.46 |
| ▸ | MMP12 | P39900 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 6/20 | 0.45 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 4/20 | 0.44 |
| ▸ | MMP8 | P22894 | 3/20 | 0.44 |
| ▸ | MMP16 | P51512 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL2443658 | 0.75 | PSIP1 (0.54) | MMP7MMP1MMP12GAAMMP13 | |
| Phosphonic Acid SCHEMBL5581864 | 0.73 | MMP1 (0.48) | MMP7MMP1MMP12GAAMMP13 | |
| SCHEMBL4968970 | 0.73 | MMP1 (0.67) | MMP7MMP2MMP1MMP12MMP13 | |
| Biphenyl SCHEMBL27544219 | 0.72 | FFAR1 (0.49) | ADAMTS4MMP2MMP14MMP12GAA | |
| SCHEMBL11837183 | 0.72 | MMP2 (0.49) | ADAMTS4MMP2MMP14MMP12GAA | |
| SCHEMBL14519925 | 0.70 | CA12 (0.54) | ADAMTS4MMP7MMP2MMP14MMP1 | |
| SCHEMBL11828010 | 0.70 | MMP2 (0.50) | ADAMTS4MMP2MMP14MMP12GAA | |
| SCHEMBL7302153 | 0.70 | MMP2 (0.73) | ADAMTS4MMP7MMP2MMP14MMP1 | |
| SCHEMBL7073256 | 0.70 | MMP2 (0.77) | MMP2MMP1MMP13MMP9PDE4A | |
| SCHEMBL7301198 | 0.70 | MMP2 (0.56) | MMP7MMP2MMP1MMP13MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108779087-A | The Valine ester and its salt form, crystal polymorph of hydroxypropyl thiazolidine carboxamide derivative | 默克雪兰诺有限公司 | 2018-11-09 | — | — | CN | disclosed |