Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | TGM2 | P21980 | 2/20 | 0.49 |
| ▸ | PPOX | P50336 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.40 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FER | P16591 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| SCHEMBL11634099 | 1.00 | CHEK1 (0.62) | CHEK1CES1TGM2PPOXLRRK2 | |
| SCHEMBL11475550 | 0.83 | TGM2 (0.61) | CHEK1CES1TGM2PPOXLRRK2 | |
| SCHEMBL11531554 | 0.83 | CES1 (0.48) | CHEK1CES1TGM2PPOXLRRK2 | |
| SCHEMBL11631021 | 0.81 | CHEK1 (0.43) | CHEK1CES1TGM2 | |
| SCHEMBL11636030 | 0.81 | CHEK1 (0.43) | CHEK1CES1TGM2 | |
| SCHEMBL11748758 | 0.81 | CHEK1 (0.47) | CHEK1LRRK2CSNK1G1ACVR1ROS1 | |
| SCHEMBL11753364 | 0.81 | CHEK1 (0.47) | CHEK1LRRK2CSNK1G1ACVR1ROS1 | |
| SCHEMBL11557784 | 0.81 | CHEK1 (0.47) | CHEK1LRRK2CSNK1G1ACVR1ROS1 | |
| SCHEMBL11535564 | 0.81 | LRRK2 (0.40) | CHEK1TGM2LRRK2CSNK1G1ACVR1 | |
| SCHEMBL11744445 | 0.81 | LRRK2 (0.40) | CHEK1TGM2LRRK2CSNK1G1ACVR1 |
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 7 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-4115574-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |
| US-4115568-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |
| US-4087421-A | NEUROLEPTIC, ANTI-DEPRESSANT AND ANALGESTIC ACTIVITY | AMERICAN CYANAMID COMPANY (US) | 1978-05-02 | — | — | 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 |
| US-3951981-A | NEUROLEPTIC, ANALGESIC | AMERICAN CYANAMID COMPANY (US) | 1976-04-20 | — | — | US | disclosed |