Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 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 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8383034 | 1.00 | ADRA1D (0.46) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6985811 | 0.86 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6980022 | 0.86 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6977090 | 0.85 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6972959 | 0.84 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL6977805 | 0.83 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8386689 | 0.83 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| Fumaric Acid SCHEMBL6982903 | 0.81 | ADRA1D (0.43) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| Fumaric Acid SCHEMBL8384945 | 0.81 | ADRA1D (0.43) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| Fumaric Acid SCHEMBL8384949 | 0.81 | ADRA1D (0.43) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | claimed |
| US-5935973-A | AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | claimed |
| US-5935973-A | AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |