Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | TDO2 | P48775 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21290146 | 0.81 | KDM1A (0.51) | NPC1RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL23956221 | 0.80 | TGFBR1 (0.42) | NPC1RAB9AIDO1TDO2L3MBTL1 | |
| SCHEMBL23956201 | 0.80 | NPC1 (0.40) | NPC1RAB9AIDO1TDO2ALDH1A1 | |
| SCHEMBL21290149 | 0.80 | IDO1 (0.48) | NPC1RAB9AIDO1TDO2L3MBTL1 | |
| SCHEMBL18015459 | 0.78 | MAPK1 (0.52) | NPC1RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL21290347 | 0.77 | IDO1 (0.54) | NPC1RAB9AIDO1TDO2L3MBTL1 | |
| SCHEMBL20075600 | 0.77 | ALDH1A1 (0.50) | NPC1RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL21290159 | 0.76 | CXCL12 (0.48) | NPC1RAB9AIDO1TDO2L3MBTL1 | |
| SCHEMBL23956220 | 0.75 | MC4R (0.39) | NPC1RAB9AIDO1TDO2DYRK1A | |
| SCHEMBL18015452 | 0.75 | LDHA (0.41) | NPC1RAB9AIDO1TDO2ALDH1A1 |
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 |