Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2996525 | 0.80 | TET2 (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| Hydrochloric Acid SCHEMBL11581270 | 0.78 | TET2 (0.54) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL13040821 | 0.76 | TDP1 (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL1536952 | 0.75 | HMGCR (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL7041938 | 0.75 | HMGCR (0.58) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL28494 | 0.75 | — | — | |
| SCHEMBL12835664 | 0.74 | HMGCR (0.33) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL10308621 | 0.74 | ALDH1A1 (0.35) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL13078567 | 0.74 | ALDH1A1 (0.35) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL124447 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011033296-A1 | PRODRUGS OF GUANFACINE | SHIRE LLC (US) | 2011-03-24 | — | — | WO | disclosed |
| WO-2010112942-A1 | NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2010-10-07 | — | — | WO | disclosed |