Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.46 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.46 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612942 | 0.84 | GSK3B (0.47) | KIF11 | |
| SCHEMBL16612795 | 0.83 | KDM4E (0.43) | KMONOTUMALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16612958 | 0.82 | STK17B (0.43) | ALDH1A1XDHKDM4ECYP1A2 | |
| SCHEMBL16612946 | 0.82 | ADORA2A (0.44) | IP6K1IP6K3IP6K2KMOALDH1A1 | |
| SCHEMBL5546097 | 0.80 | ADORA2A (0.54) | ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL1167600 | 0.80 | KMO (0.51) | IP6K1IP6K3IP6K2KMORXRA | |
| SCHEMBL16613030 | 0.80 | KMO (0.42) | KMORXRARXRBRXRGNOTUM | |
| SCHEMBL15189624 | 0.80 | MEN1 (0.46) | IP6K1IP6K3IP6K2KMORXRA | |
| SCHEMBL15189706 | 0.78 | GSK3B (0.51) | RXRARXRBNOTUMALDH1A1SMN1; SMN2 | |
| SCHEMBL16612913 | 0.78 | NOTUM (0.45) | NOTUMXDHPIN1 |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |