Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL1035231 | 0.89 | SLC40A1 (0.44) | SLC40A1IRAK4MMP2MMP3SCN9A | |
| SCHEMBL27830723 | 0.87 | SLC40A1 (0.37) | SLC40A1IRAK4MMP2MMP3SCN9A | |
| SCHEMBL1035477 | 0.87 | SLC40A1 (0.40) | SLC40A1IRAK4MMP2MMP3SCN9A | |
| SCHEMBL1031607 | 0.85 | SLC40A1 (0.47) | SLC40A1IRAK4MMP2MMP3SCN9A | |
| SCHEMBL1034663 | 0.83 | SLC40A1 (0.45) | SLC40A1IRAK4PTGES2FYNTRPV3 | |
| Tert-Butyl Formate SCHEMBL27830718 | 0.80 | SLC40A1 (0.40) | SLC40A1IRAK4MMP2MMP3PTGES2 | |
| SCHEMBL17772304 | 0.73 | KDM4E (0.37) | SLC40A1PIM1 | |
| SCHEMBL1034552 | 0.70 | PARP1 (0.48) | IRAK4FYNTRPV3PDE4APDE4B | |
| SCHEMBL1029916 | 0.70 | HDAC1 (0.52) | IRAK4HDAC1DYRK1A | |
| SCHEMBL1032421 | 0.69 | DHODH (0.58) | TRPV3PDE4APDE4BPDE4DDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083438-A | Quenolines and related analogs as sirtuin modulators | SIRTRIS PHARMACEUTICALS INC | 2011-06-01 | — | — | CN | disclosed |