Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL25045746 | 0.87 | SMN1; SMN2 (0.40) | KLKB1SMN1; SMN2PTPN1PDE10AL3MBTL1 | |
| SCHEMBL27229801 | 0.75 | TACR1 (0.49) | SMN1; SMN2PTPN1L3MBTL1CYP4F2CYP4A11 | |
| SCHEMBL23384767 | 0.74 | TACR1 (0.45) | KLKB1SMN1; SMN2L3MBTL1CYP4F2CYP4A11 | |
| SCHEMBL24324560 | 0.72 | TACR1 (0.41) | KLKB1SMN1; SMN2PDE10AL3MBTL1CYP4F2 | |
| SCHEMBL29339279 | 0.71 | GAA (0.50) | SMN1; SMN2EPHX2ALDH1A1TACR1 | |
| SCHEMBL23384776 | 0.71 | SMN1; SMN2 (0.40) | KLKB1SMN1; SMN2PTPN1PDE10AL3MBTL1 | |
| SCHEMBL29784651 | 0.69 | DYRK1A (0.43) | SMN1; SMN2L3MBTL1CYP4F2CYP4A11NAMPT | |
| SCHEMBL23961312 | 0.69 | MEN1 (0.44) | L3MBTL1CYP4F2CYP4A11ALDH1A1TACR1 | |
| SCHEMBL23384717 | 0.68 | NPC1 (0.52) | SMN1; SMN2PTPN1FAAHALDH1A1TACR1 | |
| SCHEMBL13306937 | 0.67 | TACR1 (0.52) | SMN1; SMN2PTPN1ALDH1A1TACR1ROCK2 |
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-2021093795-A1 | ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉朗来科技发展有限公司 | 2021-05-20 | — | — | WO | disclosed |