Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 2/20 | 0.58 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.58 |
| ▸ | ROS1 | P08922 | 1/20 | 0.58 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.56 |
| ▸ | FER | P16591 | 1/20 | 0.56 |
| ▸ | LTK | P29376 | 1/20 | 0.56 |
| ▸ | CDK8 | P49336 | 1/20 | 0.56 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GALR3 | O60755 | 1/20 | 0.52 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | JUN | P05412 | 3/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.49 |
| ▸ | RELA | Q04206 | 3/20 | 0.49 |
| ▸ | CYBB | P04839 | 1/20 | 0.47 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29486043 | 0.87 | ACVR1 (0.56) | ACVR1LRRK2CDK5ROS1PDGFRA | |
| SCHEMBL22748875 | 0.87 | ACVR1 (0.56) | ACVR1LRRK2CDK5ROS1PDGFRA | |
| SCHEMBL20442582 | 0.84 | CSNK1G1 (0.61) | ACVR1LRRK2CDK5ROS1PDGFRA | |
| SCHEMBL2372316 | 0.81 | CES1 (0.58) | GALR3JUNNFKB1NFKB2RELA | |
| SCHEMBL30120589 | 0.81 | CES1 (0.58) | GALR3JUNNFKB1NFKB2RELA | |
| SCHEMBL14365137 | 0.80 | CYBB (0.47) | ACVR1LRRK2CDK5ROS1PDGFRA | |
| Hydrochloric Acid SCHEMBL11435666 | 0.79 | CES1 (0.57) | GALR3JUNNFKB1NFKB2RELA | |
| SCHEMBL3616249 | 0.77 | LRRK2 (0.64) | ACVR1LRRK2CDK5ROS1PDGFRA | |
| SCHEMBL31098215 | 0.77 | ACE2 (0.56) | MEN1KMT2AGALR3JUNNFKB1 | |
| Toluene SCHEMBL28093752 | 0.77 | MAOA (0.51) | ACVR1LRRK2CDK5ROS1GALR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6103715-A | COMPOUNDS THAT BIND TO THE DOPAMINE D4 RECEPTOR AND THEIR USE AS ANXIOLYTIC AGENTS, TREATMENT FOR SCHIZOPHRENIA, AND DRUG SCREENING; SIDE EFFECT REDUCTIOON | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 2000-08-15 | — | — | US | disclosed |
| US-5968478-A | DIBENZOTHIEPINE AS NEUROTRANSMITTERS AND FOR DRUG SCREENING AND TREATMENT OF SCHIZOPHRENIA | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-10-19 | — | — | US | disclosed |