Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2418276 | 0.85 | GAA (0.36) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL62453 | 0.77 | CYP2C19 (0.44) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL2426687 | 0.75 | PAM (0.37) | TSHR | |
| SCHEMBL2420649 | 0.70 | ACLY (0.38) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL3228869 | 0.68 | TSHR (0.46) | TSHR | |
| SCHEMBL26162955 | 0.66 | TSHR (0.34) | TSHR | |
| SCHEMBL10719396 | 0.65 | TSHR (0.42) | TSHR | |
| SCHEMBL162441 | 0.65 | KDM4E (0.48) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL28835342 | 0.64 | HMGCR (0.44) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| Hydrochloric Acid SCHEMBL7900820 | 0.63 | KDM4E (0.52) | TSHRCYP2D6CYP2C19HIF1AHMGCR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1491523-B1 | ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION | DAIHACHI CHEM IND (JP) | 2011-09-14 | — | — | EP | claimed |