Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953761 | 1.00 | ACHE (0.43) | ACHEPOLBL3MBTL1CNR1CNR2 | |
| SCHEMBL19953759 | 1.00 | ACHE (0.43) | ACHEPOLBL3MBTL1CNR1CNR2 | |
| SCHEMBL19960573 | 0.88 | ALDH1A1 (0.35) | ACHEPOLBL3MBTL1HDAC4HDAC7 | |
| SCHEMBL19960938 | 0.87 | ADRA2A (0.34) | HDAC4HDAC7HDAC5ALDH1A1MAPT | |
| SCHEMBL19960969 | 0.86 | DRD2 (0.33) | L3MBTL1HDAC4HDAC7HDAC5MAPT | |
| SCHEMBL19960586 | 0.83 | TRPV1 (0.32) | HDAC4HDAC7HDAC5MAPTTRPV1 | |
| SCHEMBL19960839 | 0.80 | HDAC4 (0.39) | L3MBTL1HDAC4HDAC7HDAC5MAPT | |
| Hydrochloric Acid SCHEMBL19953504 | 0.79 | HDAC4 (0.38) | L3MBTL1HDAC4HDAC7HDAC5MAPT | |
| SCHEMBL19953489 | 0.76 | FABP5 (0.43) | L3MBTL1HDAC4HDAC7HDAC5MAPT | |
| SCHEMBL19953584 | 0.76 | FABP5 (0.43) | L3MBTL1HDAC4HDAC7HDAC5MAPT |
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-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |