Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7396235 | 0.92 | HTR4 (0.39) | HSD11B1PARP1HTR4HTR1AADRA2C | |
| SCHEMBL7430275 | 0.84 | PARP1 (0.49) | HSD11B1PARP1 | |
| SCHEMBL7332542 | 0.77 | PARP1 (0.55) | PARP1MAPT | |
| SCHEMBL5316552 | 0.77 | HTR4 (0.47) | HTR4HTR3A | |
| SCHEMBL7333211 | 0.76 | HTR4 (0.46) | HTR4HTR1AADRA2CACHEPTGS1 | |
| SCHEMBL7436836 | 0.75 | MAOA (0.35) | HTR4HTR1AADRA2CACHEPTGS1 | |
| SCHEMBL7334540 | 0.75 | LMNA (0.41) | PARP1MAPT | |
| SCHEMBL7332629 | 0.74 | HTR4 (0.41) | HTR4HTR1AADRA2CACHEPTGS1 | |
| SCHEMBL1502018 | 0.74 | HTR4 (0.51) | HTR4HTR1AADRA2CACHEPTGS1 | |
| SCHEMBL8500114 | 0.71 | HTR4 (0.40) | HTR4HTR1AADRA2CACHEPTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4924010-A | GASTROINTESTINAL DISORDERS | RORER PHARMACEUTICAL CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| US-4859683-A | Certain benzoxepins and their pharmaceutical compositions and methods | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4857517-A | Quinuclidyl benzoxepins as 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |