Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.90 |
| ▸ | MEN1 | O00255 | 2/20 | 0.90 |
| ▸ | POLB | P06746 | 2/20 | 0.90 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.90 |
| ▸ | KIF11 | P52732 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | CTSV | O60911 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12039630 | 0.98 | NPC1 (0.93) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL17616019 | 0.95 | MEN1 (1.00) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL29475421 | 0.89 | NPC1 (0.76) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL29355013 | 0.89 | NPC1 (0.76) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL276094 | 0.89 | NPC1 (0.76) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL10861569 | 0.88 | MEN1 (0.80) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL10078171 | 0.88 | MEN1 (0.74) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL2756508 | 0.86 | MEN1 (0.77) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL13412901 | 0.86 | GAA (0.82) | NPC1MEN1POLBKMT2AKIF11 | |
| SCHEMBL92077 | 0.86 | GAA (0.82) | NPC1MEN1POLBKMT2AKIF11 |
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-3197982-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-05-06 | — | — | EP | disclosed |