Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 3/20 | 0.52 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7497428 | 0.89 | NR4A2 (0.52) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL1748749 | 0.87 | NR4A2 (0.53) | NR4A2CREBBPMAPTGPR84POLB | |
| SCHEMBL28440788 | 0.85 | MEN1 (0.53) | ALDH1A1MAPTTDP1CYP1A2CYP3A4 | |
| SCHEMBL16686899 | 0.85 | NR4A2 (0.58) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL763777 | 0.82 | NR4A2 (0.56) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL5008098 | 0.82 | NR4A2 (0.50) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL16687075 | 0.81 | NR4A2 (0.55) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| Hydrochloric Acid SCHEMBL6617774 | 0.81 | NR4A2 (0.55) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL5646963 | 0.80 | HTR2A (0.59) | NR4A2CREBBPALDH1A1MAPTTDP1 | |
| SCHEMBL8726228 | 0.80 | HTR2A (0.60) | NR4A2CREBBPALDH1A1MAPTCYP1A2 |
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-111606928-A | Azacyclodiketone compound and preparation method thereof | 维清生物科技(上海)有限公司 | 2020-09-01 | — | — | CN | disclosed |