Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985807 | 1.00 | ADRA1A (0.49) | ADRA1AADRA1DADRA1BCA2CHRNB4 | |
| SCHEMBL6981984 | 0.83 | CA2 (0.41) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL6974656 | 0.83 | ADRA1A (0.47) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL1021052 | 0.83 | ADRA1A (0.47) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL6981978 | 0.83 | CA2 (0.41) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL6982180 | 0.82 | CA2 (0.59) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL6982176 | 0.82 | CA2 (0.59) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL4961821 | 0.82 | CA2 (0.40) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL4961826 | 0.82 | CA2 (0.40) | ADRA1AADRA1DADRA1BCA2HTT | |
| SCHEMBL6977481 | 0.81 | CA2 (0.42) | ADRA1AADRA1DADRA1BCA2HTT |
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 17 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 | disclosed |
| CN-1052723-C | Bicyclic aromatic compounds as therapeutic agents | KNOLL AG (DE) | 2000-05-24 | — | — | CN | 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-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 |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |
| CN-1133043-A | Bicyclic aromatic compounds as therapeutic agents | BOOTS CO PLC (DE) | 1996-10-09 | — | — | CN | disclosed |
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |
| EP-0210581-B1 | 1,4-benzodioxane derivatives, process for preparing them, pharmacological composition and use | EISAI CO LTD (JP) | 1995-07-05 | — | — | EP | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |
| US-4959376-A | ANTIISCHEMIC AGENTS, HYPOTENSIVE AGENTS | EISAI CO., LTD. (JP) | 1990-09-25 | — | — | US | disclosed |
| EP-0307970-A1 | 1,4-Benzodioxane derivatives, process for preparing them, pharmacological composition and use | Eisai Co., Ltd. (JP) | 1989-03-22 | — | — | EP | disclosed |
| US-4794118-A | ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS; BLOOD PRESSURE CONTROL IN SURGERY | EISAI CO., LTD. (JP) | 1988-12-27 | — | — | US | disclosed |
| EP-0210581-A1 | 1,4-benzodioxane derivatives, process for preparing them, pharmacological composition and use | Eisai Co., Ltd. (JP) | 1987-02-04 | — | — | EP | disclosed |