Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | OGA | O60502 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12086931 | 1.00 | SLC6A4 (0.46) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14310012 | 0.86 | TAAR1 (0.45) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12570228 | 0.84 | TAAR1 (0.49) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13144311 | 0.82 | ALDH1A1 (0.44) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2661346 | 0.79 | SLC6A4 (0.53) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13226837 | 0.79 | CYP2D6 (0.48) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7125910 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12570410 | 0.78 | SLC6A4 (0.46) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14100149 | 0.78 | CYP3A4 (0.42) | SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15165335 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7691856-B2 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| EP-1551818-B1 | THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2009-02-04 | — | — | EP | disclosed |