Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.71 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.71 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.71 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.71 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.71 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.71 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.71 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.71 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.61 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.60 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | CASR | P41180 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | WNT3A | P56704 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18154095 | 0.84 | HDAC3 (0.79) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29414947 | 0.83 | HDAC3 (0.81) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15270789 | 0.82 | CASR (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL14189709 | 0.82 | RAB9A (0.69) | PIK3CADYRK1ADRD2DRD3ALDH1A1 | |
| SCHEMBL15271101 | 0.81 | HDAC3 (0.75) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18154195 | 0.81 | RAB9A (0.75) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29414914 | 0.81 | HDAC8 (0.78) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18154359 | 0.81 | HDAC8 (0.74) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3146355 | 0.81 | PIK3CA (0.67) | PIK3CADYRK1ADRD2DRD3ALDH1A1 | |
| SCHEMBL29699070 | 0.81 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3265448-A1 | RILUZOLE PRODRUGS AND THEIR USE | Biohaven Pharmaceutical Holding Company Ltd. (US) | 2018-01-10 | — | — | EP | disclosed |
| WO-2016140879-A9 | RILUZOLE PRODRUGS AND THEIR USE | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) | 2016-11-03 | — | — | WO | disclosed |