Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21340595 | 0.80 | KIF11 (0.46) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL28349136 | 0.78 | NPC1 (0.44) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL28318702 | 0.76 | NPC1 (0.50) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL28986080 | 0.72 | S1PR1 (0.47) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL22143415 | 0.72 | POLB (0.44) | NPC1RAB9AKIF11ALDH1A1LMNA | |
| SCHEMBL2448770 | 0.72 | TNKS (0.40) | NPC1RAB9AKIF11TP53LMNA | |
| SCHEMBL26915 | 0.71 | KIF11 (0.70) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL3423876 | 0.71 | KIF11 (0.70) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL22539620 | 0.70 | NPC1 (0.64) | NPC1RAB9AKIF11KDM4EALDH1A1 | |
| SCHEMBL2655921 | 0.70 | NPC1 (0.64) | NPC1RAB9AKIF11KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022129113-A1 | NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |