Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3866367 | 0.83 | ALDH1A1 (0.37) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL10405977 | 0.82 | ALDH1A1 (0.40) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL4382224 | 0.82 | ALDH1A1 (0.40) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL18465494 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL21129986 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL356446 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL31693092 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL21130051 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA | |
| SCHEMBL7668341 | 0.79 | — | — | |
| Water SCHEMBL2996871 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CYP2C19CYP3A4HSD17B10LMNA |
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-0051020-B1 | SUBSTITUTED AZOBICYCLOOCTANECARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION UND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR (FR) | 1984-08-08 | — | — | EP | claimed |