Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165966 | 0.81 | KCNN4 (0.59) | KIF11MAPTKMT2AGRIN2DGRIN3B | |
| SCHEMBL6163962 | 0.78 | KCNN4 (0.55) | KIF11MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL7101543 | 0.78 | KCNN4 (0.55) | KIF11MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL3937789 | 0.74 | SGK1 (0.47) | KIF11GSK3BENPP2MEN1ALDH1A1 | |
| SCHEMBL22285654 | 0.74 | PTPN5 (0.46) | KIF11GSK3BENPP2MEN1ALDH1A1 | |
| SCHEMBL29675909 | 0.73 | VNN1 (0.46) | GSK3BMEN1ALDH1A1MAPTKMT2A | |
| Trifluoroacetic Acid SCHEMBL27502598 | 0.72 | FFAR1 (0.52) | MEN1MAPTKMT2APTPN5PDK1 | |
| Bicarbonate SCHEMBL11598627 | 0.72 | GSK3B (0.55) | GSK3BENPP2MEN1ALDH1A1MAPT | |
| SCHEMBL4593887 | 0.72 | PARP1 (0.52) | KIF11MAPTKMT2APTPN5KCNN4 | |
| SCHEMBL16892944 | 0.72 | PARP1 (0.52) | KIF11MEN1ALDH1A1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |