Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | NSD2 | O96028 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | DAO | P14920 | 1/20 | 0.59 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.57 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.57 |
| ▸ | FER | P16591 | 1/20 | 0.57 |
| ▸ | LTK | P29376 | 1/20 | 0.57 |
| ▸ | CDK8 | P49336 | 1/20 | 0.57 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.57 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | GALR3 | O60755 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10935244 | 0.87 | PDGFRA (0.60) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL8508053 | 0.87 | CES1 (0.58) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL25112387 | 0.86 | CES1 (0.77) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL10391668 | 0.79 | CYP1A2 (0.56) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL17065907 | 0.79 | CES1 (0.50) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL5366693 | 0.78 | ACVR1 (0.57) | ACVR1LRRK2PDGFRAFERLTK | |
| Hydrochloric Acid SCHEMBL6098100 | 0.76 | ACVR1 (0.55) | ACVR1LRRK2PDGFRAFERLTK | |
| SCHEMBL30785263 | 0.75 | AHR (0.50) | CES1NSD2BCHEDAOGALR3 | |
| SCHEMBL11745225 | 0.75 | CES1 (0.44) | CES1NSD2BCHEDAOACVR1 | |
| SCHEMBL29417367 | 0.75 | CES1 (1.00) | CES1NSD2BCHEDAOMAOA |
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 4 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 |
| US-5538965-A | TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1996-07-23 | — | — | US | disclosed |
| WO-1996018622-A1 | N-METHYL PIPERAZINE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY | ALLELIX BIOPHARMACEUTICALS INC. (US) | 1996-06-20 | — | — | WO | disclosed |