Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | FABP2 | P12104 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7044111 | 1.00 | METAP2 (0.44) | METAP2BACE1MAPTPTGS1MEN1 | |
| Boric Acid SCHEMBL7044070 | 0.92 | BACE1 (0.40) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL14932062 | 0.89 | MAPT (0.40) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL23046908 | 0.83 | PTGS1 (0.42) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL15856377 | 0.79 | METAP2 (0.46) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL4603480 | 0.79 | BACE1 (0.42) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL30933569 | 0.78 | ESR2 (0.42) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL27350745 | 0.78 | ESR2 (0.42) | METAP2BACE1MAPTPTGS1MEN1 | |
| SCHEMBL31490462 | 0.78 | ALDH1A1 (0.46) | METAP2BACE1KMT2ACYP1A2HPGD | |
| SCHEMBL1513441 | 0.78 | ESR2 (0.44) | CYP2C9CYP2C19RPS6KA3 |
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-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-114560816-A | Triazole biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学华西医院 | 2022-05-31 | — | — | CN | disclosed |