Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | GRK2 | P25098 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22347387 | 0.92 | ALDH1A1 (0.37) | ALDH1A1GAAL3MBTL1MAPTPRKCQ | |
| SCHEMBL22353922 | 0.76 | GAA (0.40) | ALDH1A1GAAL3MBTL1DRD4DRD3 | |
| SCHEMBL22352872 | 0.73 | PRKCQ (0.38) | ALDH1A1GAAL3MBTL1MAPTPRKCQ | |
| SCHEMBL22353831 | 0.73 | PRKCQ (0.36) | ALDH1A1GAAL3MBTL1MAPTPRKCQ | |
| SCHEMBL22347208 | 0.71 | — | — | |
| SCHEMBL22347580 | 0.71 | GAA (0.46) | ALDH1A1GAAL3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL31608504 | 0.71 | GAA (0.46) | ALDH1A1GAAL3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL22347657 | 0.70 | GAA (0.41) | ALDH1A1GAAL3MBTL1SMN1; SMN2HTT | |
| SCHEMBL22347206 | 0.70 | HTR1A (0.36) | ALDH1A1GAAL3MBTL1DRD4DRD3 | |
| SCHEMBL22347929 | 0.70 | IDO1 (0.35) | KDM4E |
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-2020168148-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |