Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 3/20 | 0.44 |
| ▸ | PLK2 | Q9NYY3 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | MPI | P34949 | 2/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | EEF2K | O00418 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13804629 | 0.75 | PLK1 (0.59) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL3996511 | 0.75 | PLK1 (0.59) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL3996509 | 0.75 | PLK1 (0.59) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL11835737 | 0.71 | MAPT (0.42) | PLK1PLK2MAPTALDH1A1LMNA | |
| P-Xyloquinone SCHEMBL49964 | 0.71 | PLK1 (0.60) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL18870706 | 0.68 | ALDH1A1 (0.51) | MAPTALDH1A1LMNARAB9ANPSR1 | |
| SCHEMBL10610104 | 0.67 | PLK1 (0.41) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL18871350 | 0.67 | MAPT (0.46) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL11787610 | 0.66 | PABPC1 (0.41) | PLK1PLK2MAPTALDH1A1LMNA | |
| SCHEMBL18871308 | 0.63 | DDAH1 (0.56) | MAPTALDH1A1LMNARAB9ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017083719-A1 | TRANSITION METAL FREE METHODS OF SYNTHESIS OF BIARYL COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-05-18 | — | — | WO | disclosed |