Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 7/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19700321 | 0.90 | PYCR1 (0.55) | PYCR1KDM4EALDH1A1MAOB | |
| SCHEMBL69821 | 0.85 | PYCR1 (0.69) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL10187442 | 0.85 | PYCR1 (0.69) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL6268253 | 0.83 | PYCR1 (0.53) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL8958503 | 0.81 | TAAR1 (0.52) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL4592016 | 0.81 | PYCR1 (0.52) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL2059035 | 0.79 | PYCR1 (0.50) | PYCR1KDM4EALDH1A1MAOBTAAR1 | |
| SCHEMBL19154606 | 0.79 | ALDH1A1 (0.50) | PYCR1KDM4EALDH1A1TAAR1HRH3 | |
| SCHEMBL7051153 | 0.78 | PYCR1 (0.48) | PYCR1KDM4EALDH1A1MAOBCYP2A6 | |
| SCHEMBL15128047 | 0.78 | PYCR1 (0.67) | PYCR1KDM4EALDH1A1MAOBTAAR1 |
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-116571047-A | Application of two-dimensional covalent organic framework material as Rn capture material in humid air | 上海浙江大学高等研究院 | 2023-08-11 | — | — | CN | disclosed |