Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21298732 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL24283843 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL24283651 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL24283640 | 0.83 | MAPK1 (0.55) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL21298747 | 0.83 | MAPK1 (0.55) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL24283662 | 0.82 | MAPK1 (0.42) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL21298723 | 0.82 | MAPK1 (0.42) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL21298748 | 0.80 | GABRA1 (0.59) | ALDH1A1TDP1MAPK1LMNAKDM4E | |
| SCHEMBL24283839 | 0.77 | MEN1 (0.35) | ALDH1A1TDP1GPBAR1BRD4MAPK1 | |
| SCHEMBL21298728 | 0.76 | CYP3A4 (0.46) | ALDH1A1TDP1MAPK1LMNAKDM4E |
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-113880770-A | Etomidate derivative and intermediate, preparation method and application thereof | 江苏恩华络康药物研发有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-108349906-B | Etomidate derivative and intermediate, preparation method and application thereof | 江苏恩华络康药物研发有限公司 | 2021-11-02 | — | — | CN | disclosed |