Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4847769 | 0.82 | CES1 (0.64) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL458086 | 0.80 | MAPK1 (0.46) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL30509266 | 0.78 | ALDH1A1 (0.47) | CES1DNMT1CYP1A2TSHRCYP2A6 | |
| SCHEMBL5178631 | 0.78 | ALDH1A1 (0.47) | CES1DNMT1CYP1A2TSHRCYP2A6 | |
| SCHEMBL9099488 | 0.76 | DNMT1 (0.52) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL4854951 | 0.76 | CES1 (0.60) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL25404732 | 0.75 | DNMT1 (0.55) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL30332848 | 0.75 | DNMT1 (0.55) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL29177886 | 0.75 | ALDH1A1 (0.54) | CES1ANPEPDNMT1CYP1A2TSHR | |
| SCHEMBL4939013 | 0.74 | CES1 (0.46) | CES1ANPEPDNMT1CYP1A2TSHR |
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-113683601-B | Diaza-benzo-fluoranthene compound and preparation method and application thereof | 广东工业大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-113683601-A | Diaza-benzo-fluoranthene compound and preparation method and application thereof | 广东工业大学 | 2021-11-23 | — | — | CN | disclosed |