Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20574129 | 1.00 | GRIN2D (0.34) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL24135536 | 0.86 | GRIN2D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18586335 | 0.81 | RECQL (0.41) | NPC1RAB9ASMN1; SMN2MTORKDM4E | |
| SCHEMBL28358510 | 0.76 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL26522667 | 0.76 | TDO2 (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL20575548 | 0.75 | RAB9A (0.38) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL20574912 | 0.74 | TYK2 (0.40) | MTOR | |
| SCHEMBL30445631 | 0.74 | TYK2 (0.40) | MTOR | |
| SCHEMBL30970909 | 0.74 | ALKBH2 (0.56) | NPC1RAB9ASMN1; SMN2MTORGRM4 | |
| SCHEMBL3146717 | 0.74 | ALKBH2 (0.56) | NPC1RAB9ASMN1; SMN2MTORGRM4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110678463-B | Substituted nitrogen-containing compounds | 百时美施贵宝公司 | 2023-06-06 | — | — | CN | disclosed |