Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 16/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27638680 | 1.00 | CCR2 (0.48) | CCR2CCR1CCR5CXCR4RAB9A | |
| SCHEMBL28213541 | 0.95 | CCR2 (0.42) | CCR2CCR1CCR5CXCR4RAB9A | |
| SCHEMBL28500818 | 0.89 | CCR2 (0.38) | CCR2CCR1CCR5CXCR4 | |
| SCHEMBL27891475 | 0.79 | CCR2 (0.46) | CCR2RAB9ANPC1 | |
| SCHEMBL27963467 | 0.77 | KDM4E (0.47) | — | |
| SCHEMBL27917961 | 0.77 | KDM4E (0.47) | — | |
| SCHEMBL28112273 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL29190149 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL28982949 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL4773108 | 0.75 | DDB1 (0.46) | — |
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-115461049-A | (S) -2-amino-6- ((3-aminopropyl) amino) hexanoic Acid (APL) for the treatment of non-alcoholic steatohepatitis (NASH), liver inflammation, hepatocellular ballooning, liver fibrosis and steatosis | 坦普尔大学 | 2022-12-09 | — | — | CN | disclosed |
| EP-1305309-A1 | LACTAM INHIBITORS OF FACTOR XA WHICH ARE USEFUL FOR THE TREATMENT OF THROMBOSIS | Bristol-Myers Squibb Company (US) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002010159-A1 | LACTAM INHIBITORS OF FACTOR XA WHICH ARE USEFUL FOR THE TREATMENT OF THROMBOSIS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-02-07 | — | — | WO | disclosed |