Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1427712 | 1.00 | CYP3A4 (0.40) | CYP3A4ACHEPLA2G2ATDP1CYP2C9 | |
| SCHEMBL26250381 | 1.00 | CYP3A4 (0.40) | CYP3A4ACHEPLA2G2ATDP1CYP2C9 | |
| SCHEMBL30879479 | 1.00 | CYP3A4 (0.40) | CYP3A4ACHEPLA2G2ATDP1CYP2C9 | |
| SCHEMBL3262814 | 1.00 | CYP3A4 (0.40) | CYP3A4ACHEPLA2G2ATDP1CYP2C9 | |
| SCHEMBL7039925 | 0.78 | CYP3A4 (0.40) | CYP3A4ACHEPLA2G2ATDP1CYP2C9 | |
| SCHEMBL31410915 | 0.76 | IDO1 (0.32) | PTPN1 | |
| SCHEMBL22702733 | 0.76 | PTPN1 (0.32) | PTPN1 | |
| SCHEMBL9418513 | 0.74 | CYP3A4 (0.33) | CYP3A4TDP1CYP2C9CYP2C19TP53 | |
| SCHEMBL15874145 | 0.72 | APLNR (0.39) | TDP1CYP2C19ALOX15PTPN2PTPN1 | |
| SCHEMBL11797090 | 0.71 | PTPN1 (0.35) | CYP3A4PTPN1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023156429-A1 | PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES | FIRMENICH SA (CH) | 2023-08-24 | — | — | WO | disclosed |
| US-5552379-A | FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS | FIRMENICH SA (CH) | 1996-09-03 | — | — | US | disclosed |
| US-5527769-A | AROMATIC ALDEHYDES OR ACETALS IMPART FLORAL FRAGRANCES | FIRMENICH SA (CH) | 1996-06-18 | — | — | US | disclosed |