Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 4/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28033009 | 0.85 | MAPK1 (0.59) | ALOX15HSD17B10ALDH1A1HTTNPSR1 | |
| SCHEMBL16122851 | 0.81 | MAPT (0.63) | ALOX15HSD17B10ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL28064034 | 0.81 | CYP1A2 (0.57) | ALDH1A1 | |
| SCHEMBL28033007 | 0.81 | ALDH1A1 (0.50) | ALOX15HSD17B10ALDH1A1HTTNPSR1 | |
| SCHEMBL9844990 | 0.79 | AGTR2 (0.65) | — | |
| SCHEMBL555173 | 0.76 | HTT (0.78) | ALOX15HSD17B10ALDH1A1HTTNPSR1 | |
| SCHEMBL16029278 | 0.76 | LMNA (0.71) | ALDH1A1HTTSMN1; SMN2LMNATSHR | |
| SCHEMBL19560518 | 0.76 | ALDH1A1 (0.67) | ALOX15HSD17B10ALDH1A1HTTNPSR1 | |
| SCHEMBL19375291 | 0.75 | MAPT (0.57) | ALOX15HSD17B10ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL16029559 | 0.75 | MAPT (0.72) | ALOX15HSD17B10ALDH1A1NPSR1SMN1; SMN2 |
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-104892610-A | Preparation method of 8-ester based caffeine derivative | UNIV FUJIAN | 2015-09-09 | — | — | CN | disclosed |