Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | BCL2 | P10415 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7238434 | 0.97 | SMN1; SMN2 (0.43) | SMN1; SMN2NPSR1MCL1ITGA4ALDH1A1 | |
| SCHEMBL7240541 | 0.89 | MCL1 (0.49) | MCL1SRD5A2CCR2NTRK1ABCB11 | |
| SCHEMBL7694000 | 0.82 | MCL1 (0.45) | MCL1BCL2SRD5A2CCR2NTRK1 | |
| SCHEMBL7239430 | 0.81 | MCL1 (0.42) | MCL1ALDH1A1BCL2SRD5A2CCR2 | |
| SCHEMBL7240822 | 0.79 | SMN1; SMN2 (0.40) | SMN1; SMN2NPSR1MCL1ITGA4ALDH1A1 | |
| SCHEMBL7241215 | 0.79 | MCL1 (0.42) | SMN1; SMN2NPSR1MCL1ALDH1A1SRD5A2 | |
| SCHEMBL7237841 | 0.78 | MCL1 (0.39) | MCL1BCL2SRD5A2 | |
| SCHEMBL7238919 | 0.77 | CNR2 (0.42) | MCL1ALDH1A1BCL2SRD5A2 | |
| SCHEMBL4322740 | 0.76 | PLA2G4A (0.57) | MCL1SRD5A2CCR2S1PR1S1PR3 | |
| SCHEMBL7238671 | 0.75 | CHEK1 (0.35) | SMN1; SMN2 |
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-2002000646-A1 | FATTY ACID SYNTHASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (GB) | 2002-01-03 | — | — | WO | disclosed |