Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | USP10 | Q14694 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1846609 | 0.86 | COMT (0.51) | COMTMAPTHTTSMN1; SMN2MEN1 | |
| SCHEMBL577650 | 0.81 | MAPT (0.45) | MAPTSMN1; SMN2KMT2AKDM4ELMNA | |
| SCHEMBL3231061 | 0.74 | USP10 (0.48) | COMTMAPTMEN1KMT2AUSP10 | |
| SCHEMBL2978000 | 0.74 | COMT (0.49) | COMTMAPTHTTSMN1; SMN2MEN1 | |
| SCHEMBL577651 | 0.73 | MAPT (0.44) | MAPTMEN1KMT2AKDM4ELMNA | |
| SCHEMBL29997056 | 0.73 | OPRD1 (0.39) | MAPTSMN1; SMN2KMT2AKDM4ELMNA | |
| SCHEMBL1561317 | 0.72 | OPRD1 (0.43) | MAPTSMN1; SMN2KDM4ELMNAPOLB | |
| SCHEMBL17203079 | 0.70 | GSK3B (0.52) | MAPTHTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL1844332 | 0.69 | SMN1; SMN2 (0.57) | COMTMAPTHTTSMN1; SMN2MEN1 | |
| SCHEMBL23459705 | 0.68 | COMT (0.52) | COMTMAPTHTTSMN1; SMN2KDM4E |
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-4069369-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-10-12 | — | — | EP | disclosed |