Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL3209348 | 0.86 | NFE2L2 (0.46) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL18528944 | 0.86 | NFE2L2 (0.46) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL7209613 | 0.81 | CYP3A4 (0.42) | MAOACYP3A4NFE2L2TRPA1SIGMAR1 | |
| SCHEMBL6057243 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL6057240 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL18422183 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL330963 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2MAOAABCB11NR3C1 | |
| SCHEMBL5941069 | 0.70 | MIF (0.64) | MAOAHSD17B10NFE2L2TRPA1MIF | |
| SCHEMBL5941068 | 0.70 | MIF (0.64) | MAOAHSD17B10NFE2L2TRPA1MIF | |
| SCHEMBL332485 | 0.69 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAOAABCB11NR3C1 |
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-111239353-A | Screening method of human-derived citrate transporter inhibitor compound | 辉源生物科技（上海）有限公司 | 2020-06-05 | — | — | CN | disclosed |