Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779484 | 0.88 | ALDH1A1 (0.54) | TSHRALDH1A1HCAR2SMN1; SMN2LMNA | |
| SCHEMBL28779475 | 0.84 | TSHR (0.59) | TSHRALDH1A1HCAR2LMNARAD52 | |
| SCHEMBL28779495 | 0.84 | TSHR (0.59) | TSHRALDH1A1HCAR2LMNARAD52 | |
| SCHEMBL1370917 | 0.82 | — | — | |
| SCHEMBL27549935 | 0.79 | TSHR (0.36) | TSHRALDH1A1HCAR2THRBGAA | |
| SCHEMBL138475 | 0.75 | HCAR2 (0.48) | TSHRALDH1A1HCAR2THRBGAA | |
| SCHEMBL10010712 | 0.74 | TSHR (0.45) | TSHRALDH1A1HCAR2THRBGAA | |
| SCHEMBL106813 | 0.74 | — | — | |
| SCHEMBL4679321 | 0.74 | — | — | |
| SCHEMBL10010714 | 0.74 | TSHR (0.45) | TSHRALDH1A1HCAR2THRBGAA |
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-114591217-B | Preparation method of 6, 6-dimethyl-3-azabicyclo- [3.1.0] -hexane and lactone intermediate thereof | 浙江新和成股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-114591217-A | Process for the preparation of 6, 6-dimethyl-3-azabicyclo- [3.1.0] -hexane and lactone intermediates thereof | 浙江新和成股份有限公司 | 2022-06-07 | — | — | CN | disclosed |