Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | TGM1 | P22735 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23102338 | 1.00 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9AGRIN2BNR1H2 | |
| SCHEMBL29274281 | 0.87 | CBLB (0.49) | SMN1; SMN2NPC1RAB9AGRIN2BNR1H2 | |
| SCHEMBL11487880 | 0.85 | GRIN2B (0.45) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL5129484 | 0.84 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AUSP30CYP2C19 | |
| SCHEMBL30816015 | 0.83 | GRIN2B (0.41) | SMN1; SMN2NPC1RAB9AGRIN2BNR1H2 | |
| SCHEMBL23102342 | 0.83 | GRIN2B (0.41) | SMN1; SMN2NPC1RAB9AGRIN2BNR1H2 | |
| SCHEMBL29170650 | 0.82 | KDM4E (0.46) | MEN1KMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL11477857 | 0.80 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AGRIN2BNR1H2 | |
| SCHEMBL23102322 | 0.80 | KDM4E (0.43) | MEN1KMT2AHDAC6KDM4EALDH1A1 | |
| SCHEMBL23102324 | 0.80 | KDM4E (0.43) | MEN1KMT2AHDAC6KDM4EALDH1A1 |
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-114096533-B | Tri-ring compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-08 | — | — | CN | disclosed |