Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL10740900 | 1.00 | MAPT (0.51) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342322 | 0.94 | MAPT (0.49) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342321 | 0.94 | MAPT (0.49) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342080 | 0.93 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342079 | 0.93 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342022 | 0.92 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342177 | 0.92 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342023 | 0.92 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10342353 | 0.92 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 | |
| SCHEMBL10341928 | 0.92 | MAPT (0.48) | MAPTTHRBCCNCCDK8CYP2C9 |
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-4713197-A | Nitrogen-containing heterocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-15 | — | — | US | disclosed |
| EP-0149238-A2 | Nitrogen containing heterocycles | MERCK PATENT GmbH (DE) | 1985-07-24 | — | — | EP | disclosed |