Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18015456 | 0.86 | LPL (0.46) | NPC1RAB9ADYRK1AADORA2AADORA1 | |
| SCHEMBL20532210 | 0.81 | LPL (0.42) | NPC1RAB9ATSHRDGAT1SMN1; SMN2 | |
| SCHEMBL23956204 | 0.80 | LIPG (0.41) | NPC1RAB9AMAPK1HSD17B10TSHR | |
| SCHEMBL21290175 | 0.79 | DGAT1 (0.56) | NPC1RAB9ADYRK1ACYP1A2CYP3A4 | |
| SCHEMBL21290177 | 0.79 | IDO1 (0.45) | NPC1RAB9AADORA1MAPK1HSD17B10 | |
| SCHEMBL25165559 | 0.77 | LPL (0.45) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18015448 | 0.74 | LDHA (0.47) | NPC1RAB9ACYP3A4DGAT1SMN1; SMN2 | |
| SCHEMBL21290348 | 0.74 | TOP1 (0.53) | TOP1NPC1RAB9ADYRK1AADORA2A | |
| SCHEMBL12999308 | 0.73 | LIPG (0.56) | DGAT1TDO2 | |
| SCHEMBL19766305 | 0.72 | LIPG (0.47) | NPC1RAB9ADYRK1ADGAT1SMN1; SMN2 |
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 |