Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714023 | 0.91 | TRPA1 (0.46) | ESR1ESR2CYP3A4KIF11TAAR1 | |
| SCHEMBL8716608 | 0.88 | KIF11 (0.44) | ESR1ESR2KIF11TAAR1SLC6A2 | |
| SCHEMBL8713802 | 0.88 | KIF11 (0.44) | ESR1ESR2CYP3A4KIF11TAAR1 | |
| SCHEMBL8713320 | 0.88 | ESR1 (0.38) | ESR1ESR2ALDH1A1KIF11TAAR1 | |
| SCHEMBL8719185 | 0.84 | KIF11 (0.43) | ALDH1A1CYP3A4KIF11 | |
| SCHEMBL8718475 | 0.84 | MAOB (0.48) | SLC6A2 | |
| SCHEMBL8713872 | 0.84 | ESR1 (0.42) | ESR1ESR2BLMKIF11TAAR1 | |
| SCHEMBL8713668 | 0.83 | LMNA (0.46) | ALDH1A1CYP3A4KIF11 | |
| SCHEMBL8713301 | 0.80 | KIF11 (0.50) | ALDH1A1CYP3A4KIF11 | |
| SCHEMBL8715390 | 0.80 | KIF11 (0.46) | CYP3A4KIF11 |
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-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |