Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.49 |
| ▸ | HTR3B | O95264 | 5/20 | 0.49 |
| ▸ | HTR3A | P46098 | 5/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1248486 | 0.70 | ADRB1 (0.45) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL894618 | 0.68 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL219742 | 0.68 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Chlorophenylpiperazine SCHEMBL8523218 | 0.67 | ADRB1 (0.87) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL314621 | 0.67 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL708482 | 0.67 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Chlorophenylpiperazine SCHEMBL29361195 | 0.66 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Chlorophenylpiperazine SCHEMBL8317392 | 0.66 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Chlorophenylpiperazine SCHEMBL48931 | 0.66 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Chlorophenylpiperazine SCHEMBL1320253 | 0.65 | ADRB1 (0.96) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1696931-A2 | AMINO SUBSTITUTED DIARYL [A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | Acadia Pharmaceuticals Inc. (US) | 2006-09-06 | — | — | EP | claimed |
| WO-2005063254-A2 | AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARMACEUTICALS INC. (US) | 2005-07-14 | — | — | WO | claimed |