Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | TDO2 | P48775 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26050415 | 0.82 | EGFR (0.43) | LPLLIPGDGAT1KDM4EALDH1A1 | |
| SCHEMBL21289786 | 0.81 | ERN1 (0.43) | NPC1RAB9ALPLLIPGDGAT1 | |
| SCHEMBL23956229 | 0.81 | KDM4E (0.62) | NPC1RAB9ALPLLIPGKDM4E | |
| SCHEMBL21290302 | 0.81 | MAPT (0.41) | NPC1RAB9ADGAT1KDM4EALDH1A1 | |
| SCHEMBL23956195 | 0.80 | ACACA (0.43) | LPLLIPGIDO1TDO2KDM4E | |
| SCHEMBL21290177 | 0.79 | IDO1 (0.45) | NPC1RAB9ALPLLIPGDGAT1 | |
| SCHEMBL21290301 | 0.78 | FPR2 (0.39) | NPC1RAB9AS1PR1KDM4EALDH1A1 | |
| SCHEMBL25100914 | 0.78 | DGAT1 (0.37) | RAB9ADGAT1IDO1TDO2KDM4E | |
| SCHEMBL27993895 | 0.78 | NPC1 (0.69) | NPC1RAB9ACASP3SENP7S1PR1 | |
| SCHEMBL23956204 | 0.77 | LIPG (0.41) | NPC1RAB9ALPLLIPGDGAT1 |
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 |