Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 20/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 17/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28311547 | 1.00 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL28311543 | 1.00 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279085 | 0.87 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28312375 | 0.87 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28311458 | 0.87 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279087 | 0.87 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL19700743 | 0.83 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL21378465 | 0.79 | IDH1 (0.41) | KCNH2 | |
| SCHEMBL21378463 | 0.79 | IDH1 (0.41) | KCNH2 | |
| SCHEMBL21799045 | 0.79 | IDH1 (0.41) | KCNH2 |
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-2017213910-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-12-14 | — | — | WO | disclosed |