Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 17/20 | 0.94 |
| ▸ | ADRA1A | P35348 | 17/20 | 0.94 |
| ▸ | ADRA1B | P35368 | 17/20 | 0.94 |
| ▸ | HTR1A | P08908 | 3/20 | 0.94 |
| ▸ | DRD2 | P14416 | 1/20 | 0.94 |
| ▸ | DRD4 | P21917 | 1/20 | 0.94 |
| ▸ | HTR2C | P28335 | 1/20 | 0.94 |
| ▸ | DRD3 | P35462 | 1/20 | 0.94 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8126382 | 0.98 | ADRA1D (0.91) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6766884 | 0.97 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6767394 | 0.97 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7469729 | 0.91 | ADRA1D (0.84) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7466851 | 0.90 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7468922 | 0.90 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7467019 | 0.90 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8125395 | 0.90 | ADRA1D (0.83) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8117952 | 0.89 | ADRA1D (0.98) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6760336 | 0.84 | ADRA1D (0.76) | ADRA1DADRA1AADRA1BHTR1ADRD2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1198234-A2 | BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION | Knoll GmbH (DE) | 2002-04-24 | — | — | EP | claimed |
| WO-2001002391-A2 | BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION | KNOLL GMBH (DE) | 2001-01-11 | — | — | WO | claimed |
| EP-0717739-B1 | 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses | KNOLL AG (DE) | 2000-03-29 | — | — | EP | claimed |
| EP-1198234-A2 | BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION | Knoll GmbH (DE) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001002391-A2 | BICYCLIC AROMATIC COMPOUNDS FOR TREATING DRUG ADDICTION | KNOLL GMBH (DE) | 2001-01-11 | — | — | WO | disclosed |
| EP-0717739-B1 | 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses | KNOLL AG (DE) | 2000-03-29 | — | — | EP | disclosed |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |