Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.48 |
| ▸ | FYN | P06241 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28038829 | 0.85 | CYP1A2 (0.40) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL10524314 | 0.80 | CYP1A2 (0.55) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL7915000 | 0.77 | ALDH1A1 (0.48) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL27615312 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL29839619 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL5747356 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL787069 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL30413091 | 0.76 | CYP2A6 (0.56) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL632553 | 0.76 | CYP2A6 (0.56) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| Methane SCHEMBL2329315 | 0.76 | CYP1A2 (0.50) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 |
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-104981249-B | Antimicrobe compound, their synthesis and its application | 英国卫生部 | 2018-06-19 | — | — | CN | disclosed |
| CN-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |