Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD5 | P21918 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7238872 | 0.85 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2436428 | 0.84 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2436430 | 0.84 | CYP2C9 (0.51) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8676752 | 0.84 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8527592 | 0.84 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7510571 | 0.81 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8045331 | 0.81 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11046109 | 0.80 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7239625 | 0.80 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7239619 | 0.80 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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-110041275-B | 4-propylcyclohexylbenzene derivative containing 1,2, 3-triazole five-membered ring and preparation method thereof | 四川师范大学 | 2022-07-01 | — | — | CN | disclosed |