Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3443817 | 0.95 | MAPK1 (0.51) | MAPK1HTTCYP2D6CA2PLCG1 | |
| SCHEMBL2670048 | 0.81 | CYP2D6 (0.63) | HTTCYP2D6CA2ALDH1A1GAA | |
| SCHEMBL6198035 | 0.81 | CYP2D6 (0.63) | HTTCYP2D6CA2ALDH1A1GAA | |
| SCHEMBL6198029 | 0.81 | CYP2D6 (0.63) | HTTCYP2D6CA2ALDH1A1GAA | |
| SCHEMBL14778778 | 0.81 | MAPK1 (0.47) | MAPK1CYP2D6ALDH1A1GAAMMP2 | |
| Fluoride SCHEMBL27871310 | 0.80 | CYP2D6 (0.61) | HTTCYP2D6CA2ALDH1A1GAA | |
| SCHEMBL14779304 | 0.79 | ENPP3 (0.47) | CYP2D6CA2ALDH1A1GAAMMP2 | |
| SCHEMBL19806256 | 0.78 | TSHR (0.38) | MAPK1HTTCYP2D6CA2PLCG1 | |
| SCHEMBL21036753 | 0.78 | TSHR (0.38) | MAPK1HTTCYP2D6CA2PLCG1 | |
| SCHEMBL14780378 | 0.78 | ENPP3 (0.48) | CYP2D6CA2ALDH1A1GAACA1 |
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-2019217977-A1 | N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND USE THEREOF | NORTHEASTERN UNIVERSITY (US) | 2019-11-14 | — | — | WO | disclosed |