Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL8618657 | 0.79 | MAPK14 (0.39) | ALDH1A1MAPTNPC1RAB9ATNKS | |
| SCHEMBL15467777 | 0.79 | CYP2D6 (0.36) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL7545259 | 0.78 | MAPT (0.43) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL27541518 | 0.67 | NOTUM (0.35) | — | |
| SCHEMBL4751004 | 0.64 | — | — | |
| SCHEMBL68094 | 0.61 | ALDH1A1 (0.73) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL1673427 | 0.61 | ALDH1A1 (0.73) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL12302096 | 0.61 | ALDH1A1 (0.73) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL27388424 | 0.61 | — | — | |
| SCHEMBL25392161 | 0.59 | MAPT (0.52) | ALDH1A1MAPK1MAPTMEN1KMT2A |
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-107406426-A | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | disclosed |