Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.48 |
| ▸ | CCR6 | P51684 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27732024 | 0.91 | HKDC1 (0.51) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL27586587 | 0.84 | HKDC1 (0.47) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL27587537 | 0.79 | MAOA (0.48) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL27375220 | 0.79 | HKDC1 (0.50) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL9313390 | 0.76 | HKDC1 (0.44) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL8748363 | 0.75 | CCR6 (0.48) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL28031782 | 0.75 | HKDC1 (0.50) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL27572489 | 0.73 | HKDC1 (0.48) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL28897784 | 0.72 | CCR6 (0.42) | HKDC1CCR6MAOAMAOBHSD17B3 | |
| SCHEMBL4977411 | 0.72 | CES1 (0.43) | HKDC1CCR6MAOAMAOBHSD17B3 |
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-112490477-B | Aqueous all-organic mixed liquid flow battery based on conjugated microporous polymer negative electrode containing redox active side group unit | 常州大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-112490477-A | Aqueous all-organic mixed liquid flow battery based on conjugated microporous polymer negative electrode containing redox active side group unit | 常州大学 | 2021-03-12 | — | — | CN | disclosed |