Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 5/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11616707 | 0.91 | GPR88 (0.41) | GPR88 | |
| SCHEMBL11522402 | 0.88 | HRH3 (0.46) | FFAR1SIGMAR1HRH3GRIA1GRIA2 | |
| SCHEMBL11522407 | 0.88 | HRH3 (0.46) | FFAR1SIGMAR1HRH3GRIA1GRIA2 | |
| SCHEMBL11619891 | 0.87 | RAB9A (0.38) | HRH3RAB9ALTA4H | |
| SCHEMBL11615819 | 0.83 | NQO1 (0.45) | RAB9ALTA4HDRD2 | |
| SCHEMBL11036335 | 0.81 | HRH3 (0.48) | FFAR1SIGMAR1PDE4APDE4BPDE4C | |
| SCHEMBL11617271 | 0.81 | RAB9A (0.38) | HRH3RAB9ADRD2 | |
| SCHEMBL11614025 | 0.81 | ACACB (0.38) | SIGMAR1HRH3GRIA1GRIA2GRIA3 | |
| SCHEMBL11619050 | 0.80 | CYP1A2 (0.47) | HRH3RAB9ALTA4HDRD2 | |
| SCHEMBL11523891 | 0.80 | GRIA1 (0.44) | HRH3GRIA1GRIA2GRIA3GPR88 |
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-4130502-A | Liquid crystalline cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT (DE) | 1978-12-19 | — | — | US | disclosed |
| US-4104274-A | 1-Substituted-2-(2-pyridinyl)ethanone N-oxides | WARNER-LAMBERT COMPANY (US) | 1978-08-01 | — | — | US | disclosed |
| US-4076720-A | 1-Substituted-2-(2-pyridinyl)ethanone N-oxides | WARNER-LAMBERT COMPANY (US) | 1978-02-28 | — | — | US | disclosed |
| US-4056619-A | 1-Substituted-2-(2-pyridinyl)ethanone N-oxides | WARNER-LAMBERT COMPANY (US) | 1977-11-01 | — | — | US | disclosed |