Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9283096 | 0.79 | GPR35 (0.63) | TSHRGPR35ALDH1A1CYP1A2CA12 | |
| SCHEMBL23229249 | 0.76 | PTGER4 (0.48) | TSHRGPR35ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11098117 | 0.76 | ALDH1A1 (0.50) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL11589863 | 0.75 | TSHR (0.59) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL28383634 | 0.74 | TSHR (0.48) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| Ammonia Solution, Strong SCHEMBL20190529 | 0.74 | GPR35 (0.46) | TSHRGPR35ALDH1A1CA12CA1 | |
| SCHEMBL17251285 | 0.73 | GPR35 (0.41) | GPR35ALDH1A1CYP1A2CA12CA1 | |
| SCHEMBL17744276 | 0.71 | ALDH1A1 (0.41) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL17744500 | 0.71 | GRIN2D (0.45) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL11642626 | 0.71 | CA1 (0.43) | TSHRGPR35ALDH1A1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496235-A1 | BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES | GlaxoSmithKline LLC (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011054843-A1 | BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |