Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8633129 | 0.82 | KDM4D (0.35) | ROCK2ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL8686282 | 0.81 | ROCK2 (0.35) | ROCK2ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL7450096 | 0.80 | ITGB3 (0.42) | ROCK2ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL8698839 | 0.80 | FAAH (0.37) | ITGB3ITGA2BALDH1A1TSHRCYP2C9 | |
| SCHEMBL7398021 | 0.77 | ITGB3 (0.39) | ROCK2ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL8699716 | 0.77 | F10 (0.36) | ITGB3ITGA2BALDH1A1TSHRCYP2C9 | |
| SCHEMBL8635810 | 0.76 | NPSR1 (0.34) | ITGB3ITGA2BALDH1A1TSHRCYP2C9 | |
| SCHEMBL7403452 | 0.75 | ITGB3 (0.37) | ITGB3ITGA2BALDH1A1TSHRCYP2C9 | |
| SCHEMBL8634865 | 0.74 | GAA (0.38) | ROCK2TSHRGAANPSR1 | |
| SCHEMBL27442362 | 0.74 | GAA (0.43) | ROCK2ITGB3ITGA2BALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |