Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1376567 | 0.95 | CYP1A2 (0.38) | CYP1A2S1PR1CYP2A6KDM1AMAPT | |
| SCHEMBL18978244 | 0.90 | S1PR1 (0.36) | CYP1A2S1PR1KDM1AMAPTNPSR1 | |
| SCHEMBL13775212 | 0.89 | KDM1A (0.32) | CYP1A2S1PR1CYP2A6KDM1A | |
| SCHEMBL13775209 | 0.89 | KDM1A (0.32) | CYP1A2S1PR1CYP2A6KDM1A | |
| SCHEMBL23334227 | 0.89 | MAPT (0.37) | CYP1A2S1PR1CYP2A6MAPTNPSR1 | |
| SCHEMBL2541698 | 0.89 | MAPT (0.37) | CYP1A2S1PR1CYP2A6MAPTNPSR1 | |
| SCHEMBL22246993 | 0.89 | S1PR1 (0.35) | CYP1A2S1PR1 | |
| SCHEMBL2544680 | 0.89 | CYP1A2 (0.33) | CYP1A2S1PR1CYP2A6KDM1A | |
| SCHEMBL13775273 | 0.87 | KIF11 (0.34) | CYP1A2S1PR1CYP2A6KDM1AMAPT | |
| SCHEMBL2989232 | 0.86 | CYP1A2 (0.37) | CYP1A2S1PR1CYP2A6MAPTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018108760-A1 | FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL | MERCK PATENT GMBH (DE) | 2018-06-21 | — | — | WO | disclosed |
| WO-2018077662-A1 | FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | WO | disclosed |