Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 10/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 10/20 | 0.51 |
| ▸ | HTR1A | P08908 | 5/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7470280 | 0.82 | ADRA1D (0.77) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL8694203 | 0.82 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| SCHEMBL6760337 | 0.71 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| SCHEMBL7473671 | 0.71 | ADRA1D (0.59) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL8130944 | 0.71 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| SCHEMBL7473669 | 0.69 | ADRA1D (0.87) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| SCHEMBL6760327 | 0.68 | ADRA1D (0.44) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL8130941 | 0.68 | ADRA1D (0.86) | ADRA1DADRA1AADRA1BHTR1AADRA2A | |
| SCHEMBL8593309 | 0.68 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| SCHEMBL3885649 | 0.68 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 |
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 6 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-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 |