Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28038830 | 0.85 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| Trifluoroacetic Acid SCHEMBL28038831 | 0.79 | ALDH1A1 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| Trifluoroacetic Acid SCHEMBL28039130 | 0.77 | ALDH1A1 (0.63) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| Anthracene SCHEMBL1558998 | 0.71 | CES1 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL787069 | 0.69 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL29839619 | 0.69 | CYP1A2 (0.52) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL10524314 | 0.68 | CYP1A2 (0.55) | CYP1A2ALDH1A1HSD17B10HPGDCYP2A6 | |
| Phenanthrene SCHEMBL1839925 | 0.68 | HSD17B10 (0.55) | ALDH1A1HSD17B10HPGDKDM4EGLA | |
| Methane SCHEMBL2329315 | 0.67 | CYP1A2 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| Methyl Alcohol SCHEMBL11099769 | 0.67 | CYP2A6 (0.50) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E |
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-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |