Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.52 |
| ▸ | CASP1 | P29466 | 5/20 | 0.52 |
| ▸ | CASP7 | P55210 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.49 |
| ▸ | GLA | P06280 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19212760 | 0.86 | GRIN2B (0.47) | GRIN2BALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL10285609 | 0.86 | CYP1A2 (0.52) | GRIN2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL10285226 | 0.83 | ALDH1A1 (0.66) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL2798622 | 0.83 | ALDH1A1 (0.43) | GRIN2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL15760087 | 0.78 | GRIN2B (0.48) | GRIN2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL15850872 | 0.76 | KCNH2 (0.38) | GRIN2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL14313795 | 0.74 | CYP11B1 (0.48) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL29489040 | 0.74 | CYP11B1 (0.48) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL18751788 | 0.73 | GRIN2B (0.68) | GRIN2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL18363368 | 0.73 | GRIN2B (1.00) | GRIN2BCYP1A2CYP2C19CYP2C9GRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |
| EP-1900732-A1 | NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-03-19 | — | — | EP | disclosed |