Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 5/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16249981 | 0.92 | HDAC3 (0.40) | AURKAALKAURKBNOTUMHDAC3 | |
| Hydrochloric Acid SCHEMBL16754672 | 0.91 | HDAC3 (0.40) | AURKAALKAURKBNOTUMHDAC3 | |
| SCHEMBL16238555 | 0.90 | NOTUM (0.46) | AURKAALKAURKBNOTUMHDAC3 | |
| SCHEMBL16238490 | 0.88 | AURKA (0.40) | AURKAALKAURKBNOTUMHDAC3 | |
| Trifluoroacetic Acid SCHEMBL16238799 | 0.88 | NOTUM (0.44) | AURKAALKAURKBNOTUMHDAC3 | |
| SCHEMBL16238759 | 0.87 | CA12 (0.42) | AURKAALKAURKB | |
| SCHEMBL19865067 | 0.86 | NOTUM (0.47) | AURKAALKAURKBNOTUMHDAC3 | |
| SCHEMBL16249982 | 0.85 | AURKA (0.38) | AURKAALKAURKBNOTUMGPR142 | |
| SCHEMBL17601537 | 0.83 | AURKA (0.38) | AURKAALKAURKBNOTUMGPR142 | |
| SCHEMBL16238643 | 0.82 | ALK (0.31) | AURKAALKAURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2997029-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | Glaxosmithkline LLC (US) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014186313-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-11-20 | — | — | WO | disclosed |