Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JUN | P05412 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.51 |
| ▸ | RELA | Q04206 | 4/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.45 |
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.40 |
| ▸ | CYBB | P04839 | 1/20 | 0.40 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL11744453 | 1.00 | JUN (0.51) | JUNNFKB1NFKB2RELAACE2 | |
| SCHEMBL11535564 | 0.80 | LRRK2 (0.40) | NOX1CHEK1CSNK1G1ACVR1LRRK2 | |
| SCHEMBL11744445 | 0.80 | LRRK2 (0.40) | NOX1CHEK1CSNK1G1ACVR1LRRK2 | |
| SCHEMBL11557784 | 0.77 | CHEK1 (0.47) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL11529475 | 0.77 | CHEK1 (0.62) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL11751390 | 0.77 | CSNK1G1 (0.62) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL11634099 | 0.77 | CHEK1 (0.62) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL11753364 | 0.77 | CHEK1 (0.47) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL11748758 | 0.77 | CHEK1 (0.47) | CHEK1CSNK1G1ACVR1LRRK2ROS1 | |
| SCHEMBL4896875 | 0.76 | ACVR1 (0.61) | CHEK1CSNK1G1ACVR1LRRK2ROS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4172831-A | CENTRAL NERVOUS SYSTEM | LILLY INDUSTRIES LIMITED (GB) | 1979-10-30 | — | — | US | disclosed |
| US-4115568-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |
| US-4115574-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |
| US-4007272-A | Substituted benzodiazepin-10-ones in treating pain and depression | AMERICAN CYANAMID COMPANY (US) | 1977-02-08 | — | — | US | disclosed |
| US-3953430-A | ANTIDEPRESSANTS, ANALGESICS | AMERICAN CYANAMID COMPANY (US) | 1976-04-27 | — | — | US | disclosed |