Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL52160 | 0.96 | — | — | |
| SCHEMBL28315587 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28316146 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28314496 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL808934 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL106724 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL107651 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL4682921 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL105855 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL27296205 | 0.92 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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-4098830-A | OXIDATIVE COUPLING OF ALKYLPHENOLS OR 1-NAPHTHOLS CATALYZED BY METAL COMPLEXES OF DICARBOXYLIC ACID COMPOUNDS | ICI AMERICAS INC. (US) | 1978-07-04 | — | — | US | disclosed |