Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | RNASEL | Q05823 | 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 | |
|---|---|---|---|---|
| SCHEMBL28779475 | 0.92 | TSHR (0.59) | ALDH1A1TSHRRAD52NPSR1HCAR2 | |
| SCHEMBL28779495 | 0.92 | TSHR (0.59) | ALDH1A1TSHRRAD52NPSR1HCAR2 | |
| SCHEMBL28779486 | 0.88 | TSHR (0.38) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL28596494 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL27300885 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL137155 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL28787473 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL5501929 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL9362407 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TSHRATMHPGDRAD52 | |
| SCHEMBL5159295 | 0.76 | ALDH1A1 (0.65) | ALDH1A1TSHRATMHPGDRAD52 |
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 |