Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.43 |
| ▸ | DRD3 | P35462 | 7/20 | 0.43 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | MELK | Q14680 | 2/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NMT1 | P30419 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23968161 | 0.85 | S1PR1 (0.41) | DRD2DRD3DRD4HTR1AMELK | |
| SCHEMBL23968179 | 0.82 | GRM4 (0.44) | DRD2DRD3DRD4MELKDYRK1B | |
| SCHEMBL23968008 | 0.82 | MELK (0.41) | DRD2DRD3DRD4MELKMTOR | |
| SCHEMBL23968199 | 0.81 | MAPKAPK2 (0.57) | MELKMAPTSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL7805608 | 0.79 | AVPR2 (0.49) | DRD2DRD3DRD4HTR1ADYRK1B | |
| SCHEMBL23968113 | 0.79 | MELK (0.39) | DRD2DRD3DRD4MELK | |
| SCHEMBL23968136 | 0.79 | MKNK1 (0.47) | MELKMAPTNMT1KDM4ENPC1 | |
| SCHEMBL23968184 | 0.79 | MELK (0.39) | MELK | |
| SCHEMBL23968103 | 0.79 | MELK (0.46) | MELKMTORMEN1KMT2AMAPKAPK2 | |
| SCHEMBL23968001 | 0.76 | MELK (0.51) | DRD2DRD3DRD4MELKMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |