Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11280986 | 0.97 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL11280981 | 0.77 | — | — | |
| SCHEMBL6200830 | 0.76 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Bicarbonate SCHEMBL9181172 | 0.74 | TSHR (0.36) | TSHRALDH1A1HMGCRCHRM1TBXA2R | |
| SCHEMBL6888659 | 0.72 | — | — | |
| Acetic Acid SCHEMBL28365795 | 0.72 | FFAR3 (0.35) | TSHRALDH1A1HMGCRCHRM1TBXA2R | |
| SCHEMBL95528 | 0.70 | — | — | |
| SCHEMBL94803 | 0.70 | — | — | |
| SCHEMBL314782 | 0.69 | — | — | |
| SCHEMBL791722 | 0.69 | — | — |
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-4321408-A | Preparation of 1,3-dibromo-2,2-dimethyl-propane-1,3-dicarboxylic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-23 | — | — | US | disclosed |