Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.51 |
| ▸ | CCR2 | P41597 | 1/20 | 0.51 |
| ▸ | CCR4 | P51679 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5305019 | 0.83 | CCR1 (0.45) | CCR1CCR2CCR4PKMCYP19A1 | |
| SCHEMBL9747728 | 0.78 | CCR1 (0.55) | CCR1CCR2CCR4PKMCYP19A1 | |
| SCHEMBL9201309 | 0.76 | CCR1 (0.45) | CCR1CCR2CCR4PKMCYP19A1 | |
| SCHEMBL8936735 | 0.76 | PDE7A (0.45) | CCR1CCR2CCR4PKMPDE7A | |
| SCHEMBL31005997 | 0.76 | PKM (0.44) | CCR1CCR2CCR4PKMCYP19A1 | |
| SCHEMBL9525426 | 0.76 | KDM4E (0.50) | PKMCYP19A1ALDH1A1KDM4EPOLB | |
| SCHEMBL9202589 | 0.76 | BRD4 (0.51) | CCR1CCR2CCR4CYP19A1KMT2A | |
| SCHEMBL7445529 | 0.76 | CCR1 (0.50) | CCR1CCR2CCR4PKMCYP19A1 | |
| SCHEMBL8936743 | 0.74 | PDE7A (0.43) | CCR1CCR2CCR4PKMPDE4B | |
| SCHEMBL9867750 | 0.73 | CYP19A1 (0.44) | CCR1CCR2CCR4PKMCYP19A1 |
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-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |