Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16370709 | 0.84 | ALDH1A1 (0.51) | HTR2CTSHRALDH1A1MAPTNPC1 | |
| SCHEMBL25130949 | 0.79 | TSHR (0.44) | HTR2CTSHRALDH1A1MAPTNPC1 | |
| SCHEMBL15105937 | 0.78 | CYP3A4 (0.46) | HTR2CTSHRALDH1A1MAPTNPC1 | |
| SCHEMBL22680072 | 0.77 | PKM (0.39) | MAPTPKM | |
| SCHEMBL22680074 | 0.77 | PKM (0.39) | MAPTPKM | |
| SCHEMBL15106080 | 0.76 | ALDH1A1 (0.43) | HTR2CTSHRALDH1A1MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL22491839 | 0.76 | PKM (0.41) | MAPTPKM | |
| Hydrochloric Acid SCHEMBL22655521 | 0.76 | PKM (0.41) | MAPTPKM | |
| SCHEMBL27385348 | 0.76 | HTR2C (0.46) | HTR2CTSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8222003 | 0.75 | ITGB3 (0.54) | HTR2CTSHRALDH1A1ITGB3ITGA2B |
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-2018108156-A1 | ROCK INHIBITOR AND APPLICATION THEREOF | 成都先导药物开发有限公司 | 2018-06-21 | — | — | WO | disclosed |