Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9669676 | 0.77 | CYP2C19 (0.39) | CYP2C19CYP2C9HIF1AMT-CO2ALOX5 | |
| SCHEMBL18339262 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL23531279 | 0.69 | CDC25B (0.38) | CYP2C19CYP2C9HIF1ACYP1A2CYP2D6 | |
| SCHEMBL29451210 | 0.69 | CDC25B (0.38) | CYP2C19CYP2C9HIF1ACYP1A2CYP2D6 | |
| SCHEMBL28037813 | 0.66 | CYP1A2 (0.43) | CYP2C19CYP2C9HIF1ACYP1A2CYP2D6 | |
| SCHEMBL31278068 | 0.65 | TLR4 (0.33) | — | |
| SCHEMBL31277753 | 0.65 | TLR4 (0.33) | — | |
| SCHEMBL31278453 | 0.65 | TLR4 (0.33) | — | |
| SCHEMBL6902851 | 0.65 | TLR4 (0.33) | — | |
| SCHEMBL28732307 | 0.65 | SOAT1 (0.44) | MAPTKMT2A |
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-2828240-B1 | COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES | FIRMENICH & CIE (CH) | 2018-10-31 | — | — | EP | claimed |