Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCL2 | P13500 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918693 | 1.00 | CYP2D6 (0.42) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL129881 | 0.83 | CYP2D6 (0.44) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL31379445 | 0.83 | CYP2D6 (0.44) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL22418385 | 0.81 | ATM (0.46) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL27956295 | 0.81 | KDM4E (0.42) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL9324773 | 0.80 | CYP2D6 (0.41) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL7905021 | 0.79 | MAPT (0.49) | CYP2D6KDM4EALDH1A1POLBHTR2A | |
| SCHEMBL28811725 | 0.78 | MEN1 (0.53) | CYP2D6KDM4EALDH1A1POLBHTR2A | |
| SCHEMBL11366330 | 0.77 | CYP2D6 (0.40) | CYP2D6KDM4EALDH1A1POLBBRD4 | |
| SCHEMBL27594931 | 0.77 | ALDH1A1 (0.42) | CYP2D6KDM4EALDH1A1POLBMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110809622-B | Novel ambergris and/or indole fragrance compositions | 西姆莱斯有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117203313-A | 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume | 西姆莱斯股份公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116964182-A | 2, 6-trimethyl-pinan-2-ol as fragrance | 西姆莱斯股份公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-110546247-B | 4-ethyl-octene-2/3-carbonitriles as fragrances | 西姆莱斯有限公司 | 2023-02-03 | — | — | CN | disclosed |