Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18154267 | 0.74 | ALDH1A1 (0.40) | CNR2TDP1MEN1KMT2ALMNA | |
| SCHEMBL1509098 | 0.72 | NPC1 (0.41) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL1509096 | 0.71 | NPC1 (0.40) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL2833020 | 0.70 | MEN1 (0.36) | CNR2NPSR1NPC1RAB9ACA12 | |
| SCHEMBL23803539 | 0.69 | RIPK1 (0.43) | CYP2C19CES1NPSR1RIPK1 | |
| SCHEMBL23819831 | 0.69 | RIPK1 (0.43) | CYP2C19CES1NPSR1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL16194970 | 0.69 | SRR (0.42) | CYP2C19NPSR1NPC1RAB9ACA12 | |
| SCHEMBL16728439 | 0.69 | NPSR1 (0.44) | CNR2NPSR1NPC1RAB9ACA12 | |
| SCHEMBL16728415 | 0.69 | NPSR1 (0.44) | CNR2NPSR1NPC1RAB9ACA12 | |
| SCHEMBL1933707 | 0.69 | NPSR1 (0.38) | CNR2NPSR1NPC1RAB9ACA12 |
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 |