Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 9/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 9/20 | 0.69 |
| ▸ | ADRA1B | P35368 | 9/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
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 SCHEMBL8128503 | 0.99 | ADRA1D (0.68) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7473671 | 0.93 | ADRA1D (0.59) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7463484 | 0.92 | ADRA1D (0.59) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8130944 | 0.92 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8131838 | 0.91 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7467731 | 0.90 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7466853 | 0.89 | ADRA1D (0.66) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8117955 | 0.88 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7684198 | 0.83 | ADRA1D (0.49) | ADRA1DADRA1AADRA1BADRA2AADRA2B | |
| SCHEMBL7979249 | 0.82 | ADRA1D (0.48) | ADRA1DADRA1AADRA1BADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| 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-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | claimed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | 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 |