Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 3/20 | 0.50 |
| ▸ | MMP9 | P14780 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22994338 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL31611811 | 0.85 | NOS2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL20991346 | 0.85 | NOS2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7043815 | 0.83 | KMT2A (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7046061 | 0.83 | KMT2A (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7043810 | 0.83 | KMT2A (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL7043817 | 0.83 | KMT2A (0.54) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL28737142 | 0.82 | TDP1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL26222748 | 0.82 | EGFR (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL29269199 | 0.81 | NOS2 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220304352-A1 | TASTE-MODIFYING COMPOUNDS AND USES THEREOF | FIRMENICH SA (CH) | 2022-09-29 | — | — | US | disclosed |
| WO-2021028106-A2 | TASTE-MODIFYING COMPOUNDS AND USES THEREOF | FIRMENICH SA (CH) | 2021-02-18 | — | — | WO | disclosed |