Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8580780 | 0.71 | HMGCR (0.50) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL4998722 | 0.71 | HMGCR (0.50) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL19280362 | 0.70 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL1126526 | 0.70 | ADRA1A (0.48) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL5813853 | 0.68 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL2805863 | 0.66 | — | — | |
| Acetonitrile SCHEMBL1773605 | 0.66 | KDM4E (0.52) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL9538499 | 0.65 | HMGCR (0.61) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL10010809 | 0.64 | CYP2C19 (0.44) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| Meglutol SCHEMBL28443 | 0.63 | HMGCR (1.00) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 |
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-5543566-A | CYANOMETHYLATION, AND ALKALI HYDROLYSIS | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |