Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 12/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27805832 | 0.98 | GAA (0.42) | GAAEPHX1PDK1PDK2PDK3 | |
| Water SCHEMBL28072177 | 0.96 | GAA (0.41) | GAAEPHX1PDK1PDK2PDK3 | |
| SCHEMBL27990542 | 0.92 | BTK (0.41) | GAAEPHX1PDK1PDK2PDK3 | |
| SCHEMBL27886443 | 0.88 | EPHX1 (0.33) | GAAEPHX1ALDH1A1 | |
| SCHEMBL28019745 | 0.82 | KDM1A (0.33) | EPHX1 | |
| SCHEMBL5395469 | 0.81 | EPHX1 (0.40) | GAAEPHX1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28261161 | 0.80 | EPHX1 (0.41) | GAAEPHX1PDK1PDK2PDK3 | |
| SCHEMBL27993640 | 0.79 | SMYD3 (0.36) | — | |
| SCHEMBL28615966 | 0.79 | EPHX1 (0.44) | EPHX1EPHX2 | |
| SCHEMBL28151914 | 0.79 | — | — |
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-108137616-A | Antibacterial agents comprising pyrazino [2,3-b ] [1,4] oxazin-3-ones or related ring systems | 葛兰素史克知识产权开发有限公司 | 2018-06-08 | — | — | CN | disclosed |