Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SCN4A | P35499 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463893 | 1.00 | GPR3 (0.44) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL442684 | 0.81 | NR4A1 (0.56) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL29546263 | 0.81 | NR4A1 (0.56) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL462815 | 0.80 | GPR3 (0.44) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL30053951 | 0.80 | GPR3 (0.44) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL3722072 | 0.80 | FFAR4 (0.56) | GPR3NPC1RAB9AGMNNUSP2 | |
| Hydrochloric Acid SCHEMBL9526864 | 0.79 | NR4A1 (0.54) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL24746424 | 0.78 | GPR3 (0.46) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL519232 | 0.78 | ALDH1A1 (0.46) | GPR3NPC1RAB9AGMNNUSP2 | |
| SCHEMBL716024 | 0.76 | NR4A1 (0.61) | NPC1RAB9ACYP3A4GAASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114249677-B | Riluzole intermediate compound and preparation method thereof | 鲁南制药集团股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-114249677-B | Riluzole intermediate compound and preparation method thereof | 鲁南制药集团股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-114249677-A | Riluzole intermediate compound and preparation method thereof | 鲁南制药集团股份有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-114249677-A | Riluzole intermediate compound and preparation method thereof | 鲁南制药集团股份有限公司 | 2022-03-29 | — | — | CN | disclosed |
| US-3984405-A | PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES | E. R. SQUIBB & SONS, INC. (US) | 1976-10-05 | — | — | US | disclosed |