Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734960 | 0.91 | ABCC9 (0.36) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL9735036 | 0.91 | HTR1A (0.34) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL9194883 | 0.89 | PDE4A (0.36) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL8088666 | 0.88 | CASP3 (0.34) | HTR1AABCC9PDE4APDE4BPDE4C | |
| Bimakalim SCHEMBL231904 | 0.87 | PDE4A (0.43) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL8133760 | 0.82 | HTR1A (0.33) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL9735833 | 0.80 | CYP3A4 (0.38) | MAOBABCB1 | |
| SCHEMBL8084380 | 0.80 | OPRD1 (0.39) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL8175110 | 0.80 | OPRD1 (0.39) | HTR1AABCC9PDE4APDE4BPDE4C | |
| SCHEMBL8076900 | 0.79 | HTR1A (0.35) | HTR1AABCC9ABCB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153627-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-28 | — | — | US | disclosed |
| US-6040308-A | Chroman derivatives | MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-21 | — | — | US | disclosed |
| US-5387587-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-07 | — | — | US | disclosed |
| EP-0273262-A2 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |