Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 4/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27851273 | 0.84 | BRS3 (0.40) | GAAPOLBHSD17B10TOP1BRS3 | |
| SCHEMBL29155312 | 0.81 | TOP1 (0.45) | GAATOP1BRS3TSHR | |
| SCHEMBL10931384 | 0.78 | ADRA1A (0.55) | GAATOP1BRS3TSHR | |
| SCHEMBL8771128 | 0.77 | ADRA1A (0.60) | MEN1KMT2AMAPTHTTTSHR | |
| SCHEMBL8851807 | 0.77 | TOP1 (0.58) | TOP1BRS3 | |
| SCHEMBL312971 | 0.76 | POLB (0.48) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL8851819 | 0.76 | TOP1 (0.59) | TOP1BRS3 | |
| SCHEMBL8770911 | 0.75 | ADRA1A (0.46) | TSHR | |
| SCHEMBL8851894 | 0.75 | TOP1 (0.60) | TOP1 | |
| SCHEMBL8851610 | 0.75 | TOP1 (0.60) | TOP1 |
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-102399139-A | Preparation method of high optical purity shikonin and alkannin, and derivatives thereof | UNIV SHANGHAI JIAOTONG | 2012-04-04 | — | — | CN | claimed |
| CN-102399139-A | Preparation method of high optical purity shikonin and alkannin, and derivatives thereof | UNIV SHANGHAI JIAOTONG | 2012-04-04 | — | — | CN | disclosed |