Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716253 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL8716604 | 0.93 | SLC6A4 (0.53) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL8716601 | 0.93 | SLC6A4 (0.53) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL8716717 | 0.83 | SLC6A4 (0.49) | CYP1A2CYP2D6CYP2C19SLC6A4ADRB2 | |
| SCHEMBL8716718 | 0.83 | SLC6A4 (0.49) | CYP1A2CYP2D6CYP2C19SLC6A4ADRB2 | |
| SCHEMBL28620628 | 0.78 | CYP2D6 (0.58) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL4865420 | 0.78 | SLC6A4 (0.71) | CYP1A2CYP2D6CYP2C19SLC6A4LDHA | |
| SCHEMBL8718467 | 0.77 | LTA4H (0.54) | POLB | |
| SCHEMBL8718471 | 0.77 | LTA4H (0.54) | POLB | |
| SCHEMBL8720159 | 0.77 | TAAR1 (0.60) | SLC6A4ADRB2ALDH1A1 |
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 |