Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 5/20 | 0.41 |
| ▸ | TDO2 | P48775 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21290361 | 0.82 | POLB (0.43) | NPC1RAB9AS1PR1KDM4EALDH1A1 | |
| SCHEMBL27993895 | 0.81 | NPC1 (0.69) | NPC1RAB9ACASP3SENP7S1PR1 | |
| SCHEMBL21290393 | 0.80 | ERN1 (0.46) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL23956222 | 0.80 | NPC1 (0.67) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290358 | 0.80 | PDE4D (0.42) | NPC1RAB9AS1PR1KDM4EALDH1A1 | |
| SCHEMBL21290156 | 0.79 | NPC1 (0.39) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL23956198 | 0.78 | ALOX5AP (0.37) | NPC1RAB9AS1PR1TDO2KDM4E | |
| SCHEMBL21289974 | 0.78 | ACACA (0.48) | KDM4EALDH1A1SMN1; SMN2RAC1TP53 | |
| SCHEMBL23956286 | 0.77 | NPC1 (0.50) | NPC1RAB9ACASP3SENP7IDO1 | |
| SCHEMBL21290149 | 0.77 | IDO1 (0.48) | NPC1RAB9AIDO1TDO2KDM4E |
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 |