Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16856612 | 0.89 | MMP2 (0.43) | MMP2MMP13MMP14PLA2G10S1PR2 | |
| SCHEMBL16783060 | 0.81 | MMP2 (0.40) | MMP2MMP13MMP14PLA2G10S1PR2 | |
| SCHEMBL16804964 | 0.81 | NNMT (0.46) | MMP2MMP13MMP14PLA2G10POLQ | |
| SCHEMBL16856690 | 0.81 | NPC1 (0.39) | PLA2G10MAP4K1S1PR2POLQKCNH2 | |
| SCHEMBL16804999 | 0.81 | MMP2 (0.45) | MMP2MMP13MMP14PLA2G10S1PR2 | |
| SCHEMBL16783085 | 0.81 | NPC1 (0.43) | KCNH2ATMMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL16804951 | 0.78 | PKM (0.41) | MMP2MMP13MMP14PLA2G10ALDH1A1 | |
| SCHEMBL16804965 | 0.78 | MMP2 (0.38) | MMP2MMP13MMP14PLA2G10POLQ | |
| SCHEMBL16808951 | 0.77 | MMP2 (0.37) | MMP2MMP13MMP14PLA2G10POLQ | |
| SCHEMBL16804971 | 0.77 | MMP2 (0.38) | MMP2MMP13MMP14PLA2G10S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015090579-A1 | PYRAZOLYL-BASED CARBOXAMIDES IV | Grünenthal GmbH (DE) | 2015-06-25 | — | — | WO | disclosed |