Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL128036 | 0.98 | ESR2 (0.47) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| SCHEMBL30954899 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Water SCHEMBL3331289 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| SCHEMBL28533212 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| SCHEMBL28805622 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Biphenyl SCHEMBL18106197 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Water SCHEMBL1538411 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL15862223 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Biphenyl SCHEMBL27656465 | 0.95 | ESR2 (0.45) | ESR2CYP2A6CYP2B6SQORALDH1A1 | |
| Hydrogen Peroxide SCHEMBL28104708 | 0.95 | ESR2 (0.50) | ESR2CYP2A6CYP2B6SQORALDH1A1 |
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-109206552-A | A kind of hybrid cross-linked dynamic aggregation object | 翁秋梅 | 2019-01-15 | — | — | CN | disclosed |