Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PNLIP | P16233 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044255 | 0.83 | PDK2 (0.43) | PDK2KDM4ECACNA1HCACNA1B | |
| SCHEMBL4042054 | 0.76 | RAB9A (0.43) | MAPTKDM4ENPC1RAB9A | |
| SCHEMBL4050923 | 0.70 | SLC6A4 (0.33) | — | |
| SCHEMBL4044268 | 0.70 | CACNA1B (0.45) | PDK2KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL4048452 | 0.70 | MEN1 (0.43) | PDK2MAPTKDM4EHDAC3HDAC1 | |
| SCHEMBL4040871 | 0.70 | ESR1 (0.50) | MAPTKDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL4044883 | 0.69 | CACNA1B (0.43) | PDK2MAPTKDM4EHDAC3HDAC1 | |
| SCHEMBL4045987 | 0.69 | HDAC3 (0.41) | PDK2KDM4ECYP3A4HDAC3HDAC1 | |
| SCHEMBL4046658 | 0.69 | CACNA1B (0.44) | PDK2KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL4049133 | 0.69 | CACNA1B (0.44) | PDK2MAPTKDM4EHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603921-B1 | THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES | GLAXOSMITHKLINE ZAGREB (HR) | 2009-06-17 | — | — | EP | claimed |