Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8896709 | 0.72 | SLC22A6 (0.57) | SLC22A6PTGS1PDE4A | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL17744957 | 0.70 | — | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL20483588 | 0.70 | — | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL135293 | 0.70 | — | — | |
| SCHEMBL6356291 | 0.70 | PTGS1 (0.41) | SLC22A6PTGS1PDE4A | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL25306432 | 0.69 | SLC22A6 (0.95) | SLC22A6PTGS1PDE4A | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL164319 | 0.69 | SLC22A6 (0.95) | SLC22A6PTGS1PDE4A | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL17749666 | 0.69 | SLC22A6 (0.95) | SLC22A6PTGS1PDE4A | |
| SCHEMBL11824115 | 0.69 | SLC22A6 (0.37) | SLC22A6 | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL8086788 | 0.69 | SLC22A6 (0.95) | SLC22A6PTGS1PDE4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5658545-A | AIR POLLUTION CONTROL | THE REGENTS OF CALIFORNIA (US) | 1997-08-19 | — | — | US | disclosed |
| WO-1996030299-A1 | METHOD OF REGENERATION OF IRON CHELATES IN NITRIC OXIDE SCRUBBING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-10-03 | — | — | WO | disclosed |
| US-5370849-A | Using a water soluble dimercapto compound ligand where the mercapto groups are attached to adjacent carbon atoms and contain a polar functional group | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-12-06 | — | — | US | disclosed |