Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.65 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11443685 | 1.00 | ALDH1A1 (0.68) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL11421971 | 0.85 | ALDH1A1 (0.64) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| SCHEMBL11501236 | 0.85 | AKR1C3 (0.67) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| SCHEMBL8605058 | 0.83 | AKR1C3 (0.64) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL30536983 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL28491203 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL6061130 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL30537001 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL1074283 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR | |
| Benzophenone SCHEMBL28180817 | 0.82 | ALDH1A1 (1.00) | ALDH1A1AKR1C3SRD5A2DAOTSHR |
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-108262019-B | Magnetic sulfonic group functionalized COFs material and preparation method and application thereof | 中国烟草总公司郑州烟草研究院 | 2021-01-22 | — | — | CN | claimed |