Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL27345731 | 0.89 | HRH3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9045476 | 0.87 | HRH3 (0.38) | — | |
| SCHEMBL3286058 | 0.85 | BACE1 (0.36) | GLABACE1 | |
| Hydrochloric Acid SCHEMBL11470473 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL3697323 | 0.83 | GLA (0.33) | GLABACE1 | |
| Hydrochloric Acid SCHEMBL6618574 | 0.82 | BACE1 (0.33) | SMN1; SMN2HTTBACE1 | |
| SCHEMBL3297127 | 0.81 | — | — | |
| SCHEMBL8992520 | 0.80 | ADORA3 (0.33) | GLABACE1 | |
| SCHEMBL3841860 | 0.80 | HRH3 (0.41) | GLA | |
| SCHEMBL8531352 | 0.77 | HRH3 (0.32) | — |
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-2651893-A1 | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082566-A1 | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-21 | — | — | WO | disclosed |