Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | FABP2 | P12104 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL4641824 | 0.87 | TRPA1 (0.44) | CYP3A4CYP2D6MEN1TSHRKMT2A | |
| SCHEMBL11960067 | 0.77 | STAT3 (0.42) | CYP3A4MAPTSMN1; SMN2MEN1KMT2A | |
| Acetic Acid SCHEMBL9642852 | 0.76 | PTGS2 (0.50) | PTGS2ACP3CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL28492568 | 0.75 | CYP3A4 (0.46) | PTGS2MMP3BCL2L1ACP3CYP3A4 | |
| SCHEMBL8591948 | 0.75 | ACP3 (0.48) | PTGS2MMP3BCL2L1ACP3CYP3A4 | |
| SCHEMBL11960068 | 0.75 | TSHR (0.46) | SLC6A2SLC6A4SLC6A3SMN1; SMN2TSHR | |
| SCHEMBL800185 | 0.75 | AOC3 (0.40) | — | |
| SCHEMBL18943205 | 0.74 | TRPA1 (0.44) | CYP3A4CYP2D6MEN1TSHRKMT2A | |
| SCHEMBL17577744 | 0.72 | PTGS2 (0.59) | PTGS2MMP3BCL2L1ACP3CYP3A4 | |
| SCHEMBL430326 | 0.72 | PTGS2 (0.59) | PTGS2MMP3BCL2L1ACP3CYP3A4 |
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-118908796-A | Preparation method of allyl alcohol compound | 浙江广厦建设职业技术大学 | 2024-11-08 | — | — | CN | disclosed |