Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GCG | P01275 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11900203 | 0.90 | ESR2 (0.62) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL28541087 | 0.90 | MEN1 (0.49) | ESR2ADORA3ADORA2APTGESMAPT | |
| SCHEMBL28549714 | 0.89 | ESR2 (0.66) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL17199127 | 0.86 | NPC1 (0.55) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL28539532 | 0.86 | ESR2 (0.46) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL18470549 | 0.86 | ESR2 (0.46) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL2264062 | 0.86 | ESR2 (0.43) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL1712561 | 0.81 | ADORA3 (0.54) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL1712548 | 0.81 | ESR2 (0.41) | ESR2ADORA3ADORA2APARP1PARP2 | |
| SCHEMBL17199295 | 0.80 | MEN1 (0.60) | ESR2MAPTNPC1RAB9AKMT2A |
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-112574112-B | Method for synthesizing N-substituted 2H-indazole compound through oxidation | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-112574112-A | Method for synthesizing N-substituted 2H-indazole compound through green oxidation | 浙江工业大学 | 2021-03-30 | — | — | CN | disclosed |