Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | IDO1 | P14902 | 3/20 | 0.59 |
| ▸ | TDO2 | P48775 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL729768 | 1.00 | NPC1 (0.67) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL29493150 | 1.00 | NPC1 (0.67) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL28880195 | 0.98 | NPC1 (0.65) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL21173250 | 0.91 | NPC1 (0.58) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL17932551 | 0.90 | NPC1 (0.62) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL129816 | 0.90 | NPC1 (0.56) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL17296957 | 0.89 | NPC1 (0.60) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL17296962 | 0.89 | NPC1 (0.60) | NPC1RAB9AIDO1TDO2KDM4E | |
| SCHEMBL17945860 | 0.89 | NPC1 (0.60) | NPC1RAB9AIDO1TDO2CYP1A2 | |
| SCHEMBL12579968 | 0.89 | NPC1 (0.60) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4169082-A1 | METHOD FOR PRODUCING A MIXTURE | Merck Patent GmbH (DE) | 2023-04-26 | — | — | EP | disclosed |