Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28549103 | 0.70 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6421730 | 0.70 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17727866 | 0.70 | ALDH1A1 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL238941 | 0.67 | THRB (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28412301 | 0.66 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28633624 | 0.65 | ALDH1A1 (0.36) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27955074 | 0.65 | BACE1 (0.33) | — | |
| SCHEMBL6821209 | 0.65 | PTGS2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28876299 | 0.62 | — | — | |
| SCHEMBL2657522 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |