Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 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 | |
|---|---|---|---|---|
| SCHEMBL29113595 | 1.00 | TLR7 (0.46) | TLR7ADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL18344137 | 0.91 | NPC1 (0.43) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL24824339 | 0.82 | RAB9A (0.47) | TLR7ADORA2AADORA1MEN1NPC1 | |
| SCHEMBL30097204 | 0.81 | CHRNA7 (0.43) | TLR7ADORA2AADORA1NPC1ALDH1A1 | |
| SCHEMBL18344150 | 0.80 | NPC1 (0.42) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL20296152 | 0.78 | RAB9A (0.49) | ADORA2AADORA1MEN1NPC1RAB9A | |
| SCHEMBL21638128 | 0.75 | SMN1; SMN2 (0.47) | ADORA2AADORA1MEN1NPC1ALDH1A1 | |
| SCHEMBL21638127 | 0.75 | SMN1; SMN2 (0.47) | ADORA2AADORA1MEN1NPC1ALDH1A1 | |
| SCHEMBL20296806 | 0.75 | NPC1 (0.43) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL31349426 | 0.75 | MGLL (0.49) | KDM4EMEN1NPC1ALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117136187-A | Novel anti-hepatitis B compound | 上海齐鲁制药研究中心有限公司 | 2023-11-28 | — | — | CN | disclosed |
| WO-2022268154-A1 | NEW ANTI-HEPATITIS B COMPOUND | 上海齐鲁制药研究中心有限公司 | 2022-12-29 | — | — | WO | disclosed |