Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 8/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.35 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30209450 | 1.00 | IDO1 (0.45) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL9277352 | 0.91 | IDO1 (0.50) | IDO1TLR9TLR7TLR8UHRF1 | |
| Cyanide SCHEMBL27912025 | 0.85 | IDO1 (0.47) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL12093743 | 0.83 | IDO1 (0.45) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL12093732 | 0.83 | IDO1 (0.45) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL23660437 | 0.82 | IDO1 (0.48) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL22730013 | 0.82 | IDO1 (0.48) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL22730012 | 0.82 | IDO1 (0.48) | IDO1TLR9TLR7TLR8UHRF1 | |
| Bicarbonate SCHEMBL9280862 | 0.82 | IDO1 (0.54) | IDO1TLR9TLR7TLR8UHRF1 | |
| SCHEMBL22402327 | 0.81 | IDO1 (0.44) | IDO1TLR9TLR7TLR8UHRF1 |
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-111247119-B | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-111247119-A | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |