Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | TOP1 | P11387 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 2/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21290348 | 0.86 | TOP1 (0.53) | TP53MAPTRXFP1TOP1ADORA2A | |
| SCHEMBL18015464 | 0.83 | MAPK1 (0.55) | TP53MAPTNPC1RAB9ADYRK1A | |
| SCHEMBL21290362 | 0.83 | TP53 (0.53) | TP53MAPTRXFP1TOP1ADORA2A | |
| SCHEMBL23956317 | 0.80 | DYRK1A (0.47) | TP53TOP1ADORA2AADORA1NPC1 | |
| SCHEMBL23956224 | 0.80 | DYRK1A (0.47) | TP53TOP1ADORA2AADORA1NPC1 | |
| SCHEMBL21142232 | 0.80 | MAPK1 (0.52) | TP53MAPTNPC1RAB9ADYRK1A | |
| SCHEMBL23956334 | 0.79 | IDO1 (0.41) | TP53MAPTRXFP1ADORA1NPC1 | |
| SCHEMBL995091 | 0.78 | ALDH1A1 (0.52) | TP53MAPTRXFP1ADORA2AADORA1 | |
| SCHEMBL30966592 | 0.78 | ALDH1A1 (0.52) | TP53MAPTRXFP1ADORA2AADORA1 | |
| SCHEMBL21290149 | 0.78 | IDO1 (0.48) | TP53MAPTADORA1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |