Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11769351 | 0.74 | ALOX5 (0.32) | — | |
| SCHEMBL4488613 | 0.70 | CYP11B2 (0.36) | CYP11B2PARP1HDAC3TRPA1 | |
| SCHEMBL283346 | 0.67 | TRPA1 (0.50) | CYP11B2PARP1TRPA1PTGS2 | |
| SCHEMBL31586332 | 0.67 | TRPA1 (0.50) | CYP11B2PARP1TRPA1PTGS2 | |
| SCHEMBL9277426 | 0.67 | CYP11B2 (0.33) | CYP11B2PARP1HDAC3TRPA1 | |
| SCHEMBL6989354 | 0.65 | TRPA1 (0.31) | TRPA1 | |
| SCHEMBL6017106 | 0.64 | HDAC3 (0.38) | PARP1HDAC3TRPA1 | |
| SCHEMBL3069885 | 0.63 | HDAC3 (0.43) | PARP1HDAC3 | |
| SCHEMBL4944740 | 0.63 | BRD4 (0.53) | HDAC3 | |
| SCHEMBL27986120 | 0.62 | PARP1 (0.41) | CYP11B2PARP1TRPA1PTGS2 |
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-0588858-B1 | IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE | JANSSEN PHARMACEUTICA NV (BE) | 2003-09-17 | — | — | EP | disclosed |
| EP-0000716-B1 | PYRROLO(2,1-B)(3)BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1983-03-09 | — | — | EP | disclosed |
| EP-0000716-B1 | PYRROLO(2,1-B)(3)BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1983-03-09 | — | — | EP | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4195091-A | Appetite stimulating pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4195091-A | Appetite stimulating pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| EP-0000716-A2 | Pyrrolo(2,1-b)(3)benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1979-02-21 | — | — | EP | disclosed |
| EP-0000716-A2 | Pyrrolo(2,1-b)(3)benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1979-02-21 | — | — | EP | disclosed |
| US-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4075225-A | Pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |