Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.62 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.62 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.62 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.62 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.62 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.62 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6845644 | 1.00 | GRIN2D (0.62) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1420405 | 0.85 | CYP2A6 (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1420406 | 0.85 | CYP2A6 (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL15928034 | 0.85 | GRIN2D (0.71) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13263864 | 0.81 | CYP2A6 (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL28202524 | 0.78 | CYP2A6 (0.70) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Cyanide SCHEMBL22130248 | 0.77 | GRIN2D (0.57) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL19449705 | 0.77 | FAAH (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL17560835 | 0.76 | GRIN2D (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL17044457 | 0.75 | GRIN2D (0.58) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107072985-A | Therapeutic inhibiting compound | 莱福斯希医药公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-106061480-A | Therapeutic inhibitory compounds | 莱福斯希医药公司 | 2016-10-26 | — | — | CN | disclosed |
| EP-1330457-B1 | CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS | WYETH CORP (US) | 2004-10-20 | — | — | EP | disclosed |