Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15657471 | 0.72 | MKNK1 (0.32) | — | |
| SCHEMBL1835404 | 0.70 | MCL1 (0.36) | — | |
| SCHEMBL10827651 | 0.68 | GLI1 (0.34) | — | |
| SCHEMBL15475264 | 0.68 | THRB (0.38) | CYP1A2TSHR | |
| SCHEMBL7076676 | 0.67 | ELANE (0.33) | — | |
| SCHEMBL6993336 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL14173702 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL480709 | 0.64 | TSPO (0.43) | — | |
| SCHEMBL5864679 | 0.63 | MAPK1 (0.41) | CYP1A2TSHR | |
| SCHEMBL25626839 | 0.62 | BRD4 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004101530-A1 | A METHOD FOR PRODUCING DIVERSE SET OF DITHIOATE COMPOUNDS | BIOORGANICS & APPLIED MATERIALS PVT LIMITED (IN) | 2004-11-25 | — | — | WO | disclosed |