Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22548710 | 0.89 | ESR1 (0.39) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL294968 | 0.81 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL97088 | 0.81 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL97087 | 0.81 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL6303238 | 0.80 | SLC6A2 (0.46) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL28074164 | 0.80 | TP53 (0.50) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL3385591 | 0.79 | SLC6A2 (0.56) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL1157985 | 0.79 | SLC6A2 (0.56) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL1356881 | 0.79 | SLC6A2 (0.47) | TAAR1SLC6A2LMNACYP2D6MMP8 | |
| SCHEMBL19245685 | 0.79 | ESR1 (0.38) | SLC6A2LMNACYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113015717-A | Carboxylic acid ester compound, process for producing the same, and perfume composition | 三菱瓦斯化学株式会社 | 2021-06-22 | — | — | CN | disclosed |