Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326577 | 0.70 | ALDH1A1 (0.34) | ALDH1A1KDM4EACHENPSR1SIGMAR1 | |
| SCHEMBL8328585 | 0.69 | ALDH1A1 (0.34) | ALDH1A1KDM4ENPSR1SIGMAR1RORC | |
| SCHEMBL16226580 | 0.67 | L3MBTL1 (0.50) | ALDH1A1KDM4EHCRTR1MEN1KMT2A | |
| SCHEMBL8326581 | 0.66 | SPHK2 (0.34) | ALDH1A1NPSR1 | |
| SCHEMBL8327461 | 0.66 | ALDH1A1 (0.32) | ALDH1A1KDM4EHRH1CHRM1 | |
| SCHEMBL6834626 | 0.63 | ALDH1A1 (0.46) | ALDH1A1KDM4EACHEGBA1SMN1; SMN2 | |
| SCHEMBL27854377 | 0.62 | ALDH1A1 (0.47) | ALDH1A1KDM4EACHEGBA1SMN1; SMN2 | |
| SCHEMBL3810383 | 0.61 | ALDH1A1 (0.50) | ALDH1A1KDM4EACHEGBA1SMN1; SMN2 | |
| SCHEMBL8328371 | 0.60 | NOS3 (0.35) | — | |
| SCHEMBL8326437 | 0.60 | KDM4E (0.43) | KDM4EACHENPSR1KCNH2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5736550-A | TREATMENT OF GASTROINTESTINAL TRACT DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |