Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17893420 | 0.84 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL4089233 | 0.79 | NPSR1 (0.35) | LMNA | |
| SCHEMBL1306329 | 0.76 | ALOX15 (0.41) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL1566652 | 0.76 | OPRM1 (0.40) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL15583281 | 0.76 | OPRM1 (0.40) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL22640209 | 0.76 | POLB (0.44) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL12302983 | 0.75 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| SCHEMBL102472 | 0.75 | POLB (0.41) | ALDH1A1TSHRSMN1; SMN2GAAPOLB | |
| SCHEMBL12269366 | 0.75 | MEN1 (0.37) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 | |
| Hydrochloric Acid SCHEMBL755483 | 0.75 | ALOX15 (0.39) | ALDH1A1SMN1; SMN2GAAPOLBOPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |