Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Styrene SCHEMBL3804814 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC8TDP1CYP2C19 | |
| Styrene SCHEMBL10988082 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC8TDP1CYP2C19 | |
| Styrene SCHEMBL11880094 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC8TDP1CYP2C19 | |
| SCHEMBL8610046 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1CYP2C19TP53 | |
| SCHEMBL9329319 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL2600068 | 0.78 | AHR (0.48) | ALDH1A1CYP1A2CYP2C9MEN1MAPT | |
| SCHEMBL11032283 | 0.78 | APP (0.52) | ALDH1A1TDP1CYP2C19HIF1AEPAS1 | |
| Ethylene SCHEMBL17997367 | 0.78 | CYP2C19 (0.52) | ALDH1A1TSHRHDAC8TDP1CYP2C19 | |
| SCHEMBL13153164 | 0.78 | NFE2L2 (0.54) | TP53TRPA1PTGS1PTGS2NFE2L2 | |
| SCHEMBL17341775 | 0.78 | APP (0.48) | CYP2C19HIF1AEPAS1CYP1A2 |
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-109867741-B | High-temperature-resistant polyisobutylene-based thermoplastic elastomer and preparation method thereof | 大连理工大学 | 2021-04-27 | — | — | CN | disclosed |