Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 5/20 | 0.52 |
| ▸ | CCR5 | P51681 | 5/20 | 0.52 |
| ▸ | CCR8 | P51685 | 5/20 | 0.52 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.41 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL22326640 | 0.84 | CCR1 (0.45) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL24916307 | 0.81 | CCR1 (0.42) | CCR1CCR5CCR8PKM | |
| SCHEMBL20928233 | 0.78 | TET2 (0.39) | CCR1CCR5CCR8KDM4EPSMD14 | |
| SCHEMBL5226896 | 0.73 | CCR1 (0.52) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL6174019 | 0.73 | CYP2A6 (0.46) | CCR1CCR5CCR8KDM4ESMN1; SMN2 | |
| SCHEMBL7681923 | 0.72 | ALDH1A1 (0.45) | KDM4EPSMD14ALDH1A1CYP1A2MEN1 | |
| SCHEMBL18644122 | 0.72 | CCR1 (0.42) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL11920831 | 0.72 | KDM4E (0.44) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29430432 | 0.72 | CCR1 (0.57) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL22615073 | 0.72 | CCR1 (0.57) | CCR1CCR5CCR8NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019076343-A1 | PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海长森药业有限公司 | 2019-04-25 | — | — | WO | disclosed |