Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714231 | 0.91 | ESR1 (0.53) | TRPA1TAAR1SLC6A2CYP3A4KIF11 | |
| SCHEMBL8716608 | 0.91 | KIF11 (0.44) | TRPA1TAAR1SLC6A2CYP1A2CYP2C19 | |
| SCHEMBL8713320 | 0.91 | ESR1 (0.38) | TRPA1TAAR1SLC6A2CYP1A2CYP2C19 | |
| SCHEMBL8713802 | 0.91 | KIF11 (0.44) | TRPA1TAAR1SLC6A2CYP1A2CYP2C19 | |
| SCHEMBL8719185 | 0.87 | KIF11 (0.43) | CYP1A2CYP2C19CYP3A4RECQLHIF1A | |
| SCHEMBL8713929 | 0.87 | KIF11 (0.41) | TRPA1TAAR1CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8718475 | 0.86 | MAOB (0.48) | SLC6A2CYP1A2CYP2C19HIF1ALMNA | |
| SCHEMBL8713668 | 0.85 | LMNA (0.46) | CYP1A2CYP2C19CYP3A4RECQLHIF1A | |
| SCHEMBL8720161 | 0.83 | TAAR1 (0.48) | TAAR1CYP1A2KIF11SIGMAR1 | |
| SCHEMBL8713301 | 0.82 | KIF11 (0.50) | CYP1A2CYP2C19CYP2C9CYP3A4RECQL |
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 |