Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10443876 | 0.98 | CYP2D6 (0.45) | CYP2D6CYP2C19MMP1MMP8HPGD | |
| Water SCHEMBL10443877 | 0.98 | CYP2D6 (0.45) | CYP2D6CYP2C19MMP1MMP8HPGD | |
| SCHEMBL19343056 | 0.83 | HPGD (0.43) | CYP2D6CYP2C19HPGDSMN1; SMN2GAA | |
| SCHEMBL5907680 | 0.80 | CYP2D6 (0.52) | CYP2D6CYP2C19MMP1MMP8HPGD | |
| SCHEMBL6644938 | 0.80 | CYP2D6 (0.56) | CYP2D6CYP2C19MMP1MMP8HPGD | |
| SCHEMBL23866570 | 0.79 | CYP2D6 (0.42) | CYP2D6CYP2C19MMP1MMP8HPGD | |
| SCHEMBL13475438 | 0.77 | MCL1 (0.45) | MMP1EPHX1USP2LMNAGAA | |
| SCHEMBL3832638 | 0.75 | ALDH1A1 (0.45) | HPGDUSP2KMT2AMAPT | |
| SCHEMBL564899 | 0.75 | — | — | |
| SCHEMBL10447542 | 0.74 | CYP2D6 (0.62) | CYP2D6CYP2C19MMP1MMP8HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2455363-B1 | METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR | TAKASAGO PERFUMERY CO LTD (JP) | 2014-10-01 | — | — | EP | disclosed |