Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29010567 | 0.88 | TSHR (0.52) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL5956359 | 0.81 | TSHR (0.71) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL3350751 | 0.80 | TSHR (0.54) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL6860725 | 0.80 | TSHR (0.54) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL3350757 | 0.80 | TSHR (0.54) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL6860722 | 0.80 | TSHR (0.54) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL29045626 | 0.78 | NLRP3 (0.45) | TSHRNLRP3SLC18A3 | |
| SCHEMBL29010564 | 0.78 | TSHR (0.52) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL6534627 | 0.76 | TSHR (0.53) | TSHRCYP2C19CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL10506858 | 0.75 | TSHR (0.42) | TSHRCYP3A4ALDH1A1LMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111217769-B | Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina | 华南理工大学 | 2023-04-21 | — | — | CN | claimed |
| CN-111217769-B | Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina | 华南理工大学 | 2023-04-21 | — | — | CN | disclosed |