Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A1 | Q14973 | 15/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28898154 | 0.93 | SLC10A1 (0.46) | SLC10A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28898130 | 0.89 | SLC10A1 (0.41) | SLC10A1 | |
| SCHEMBL25645193 | 0.87 | SLC10A1 (0.54) | SLC10A1SMN1; SMN2 | |
| SCHEMBL28898147 | 0.84 | TSHR (0.43) | SLC10A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28898160 | 0.83 | TSHR (0.42) | SLC10A1SMN1; SMN2 | |
| SCHEMBL28483552 | 0.83 | SLC10A1 (0.65) | SLC10A1SMN1; SMN2 | |
| SCHEMBL21427908 | 0.83 | SLC10A1 (0.65) | SLC10A1SMN1; SMN2 | |
| SCHEMBL30361300 | 0.83 | SLC10A1 (0.65) | SLC10A1SMN1; SMN2 | |
| SCHEMBL21428184 | 0.83 | TSHR (0.46) | SLC10A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28898135 | 0.82 | TSHR (0.41) | SLC10A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 |
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-111868026-B | Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof | 正大天晴药业集团股份有限公司 | 2022-11-25 | — | — | CN | disclosed |