Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL380656 | 0.91 | CES1 (1.00) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL23043820 | 0.89 | ALDH1A1 (0.69) | CES1ALDH1A1MEN1LMNAHPGD | |
| Furan SCHEMBL3095660 | 0.82 | CES1 (0.81) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL22609991 | 0.82 | CES1 (0.81) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL5716919 | 0.80 | CES1 (0.79) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL7213583 | 0.79 | CES1 (0.72) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL87570 | 0.78 | CES1 (0.70) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL4449670 | 0.77 | CES1 (0.59) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL7577681 | 0.76 | CES1 (0.61) | CES1ALDH1A1MEN1LMNAHPGD | |
| SCHEMBL893374 | 0.75 | ALDH1A1 (1.00) | CES1ALDH1A1MEN1LMNAHPGD |
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-114149438-A | Quinoxaline and diazole derivatives based on 9, 10-dimethyl-9, 10-ethylene anthracene and preparation method thereof | 华东师范大学 | 2022-03-08 | — | — | CN | claimed |
| CN-114149438-A | Quinoxaline and diazole derivatives based on 9, 10-dimethyl-9, 10-ethylene anthracene and preparation method thereof | 华东师范大学 | 2022-03-08 | — | — | CN | disclosed |