Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | P4HB | P07237 | 1/20 | 0.45 |
| ▸ | PDIA4 | P13667 | 1/20 | 0.45 |
| ▸ | PDIA3 | P30101 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22556155 | 0.97 | NT5E (0.55) | NT5ECYP2D6THRBHSD17B10PTPN1 | |
| SCHEMBL11311981 | 0.87 | PTPN1 (0.63) | NT5EPTPN1CA2CA1ALDH1A1 | |
| SCHEMBL11311986 | 0.87 | PTPN1 (0.63) | NT5EPTPN1CA2CA1ALDH1A1 | |
| SCHEMBL28616665 | 0.86 | LMNA (0.51) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL28635606 | 0.85 | CYP2D6 (0.47) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL7051328 | 0.85 | LMNA (0.54) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL7051327 | 0.85 | LMNA (0.54) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL14852907 | 0.85 | LMNA (0.54) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL15700905 | 0.85 | LMNA (0.54) | CYP2D6THRBHSD17B10TSHRCA2 | |
| SCHEMBL10495763 | 0.85 | LMNA (0.54) | CYP2D6THRBHSD17B10TSHRCA2 |
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-108948106-B | Preparation method of 2-hydroxy gulose receptor derivative, bleomycin disaccharide and precursor thereof | 广州中医药大学(广州中医药研究院) | 2021-08-10 | — | — | CN | disclosed |
| CN-108794547-B | Preparation method of 3-O-carbamyl mannose donor derivative, bleomycin disaccharide and precursor thereof | 广州中医药大学(广州中医药研究院) | 2021-08-10 | — | — | CN | disclosed |