Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19928539 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL24688458 | 0.76 | OPRM1 (0.32) | — | |
| SCHEMBL20153166 | 0.76 | TSHR (0.33) | TSHR | |
| SCHEMBL21153226 | 0.74 | TOP2A (0.39) | — | |
| SCHEMBL21160556 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL18842878 | 0.73 | TSHR (0.35) | TSHR | |
| SCHEMBL22414444 | 0.71 | USP2 (0.31) | CYP2D6TSHR | |
| SCHEMBL13766677 | 0.71 | TSHR (0.40) | CYP2D6TSHR | |
| SCHEMBL29325143 | 0.71 | CYP2D6 (0.36) | CYP1A2CYP2D6 | |
| SCHEMBL20921362 | 0.69 | S1PR1 (0.44) | CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9908886-B2 | Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-03-06 | — | — | US | disclosed |