Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.57 |
| ▸ | ESR1 | P03372 | 6/20 | 0.57 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 8/20 | 0.46 |
| ▸ | DRD3 | P35462 | 8/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974143 | 0.95 | ESR1 (0.51) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL30548173 | 0.85 | ESR2 (0.65) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL587484 | 0.85 | ESR2 (0.65) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL3781320 | 0.84 | HRH3 (0.52) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL6160274 | 0.81 | TMEM97 (0.60) | ESR2ESR1ABHD6DRD3 | |
| SCHEMBL29052398 | 0.81 | ESR1 (0.41) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL13094748 | 0.81 | DRD1 (0.56) | ESR2ESR1DRD2DRD3 | |
| SCHEMBL7798191 | 0.81 | ITGB3 (0.54) | ESR2ESR1DRD2DRD3 | |
| SCHEMBL1650187 | 0.80 | NR1H2 (0.63) | ESR2ESR1ABHD6DRD2DRD3 | |
| SCHEMBL11295872 | 0.80 | ESR1 (0.71) | ESR2ESR1ABHD6DRD2DRD3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116507326-A | Compounds as GLP-1R agonists | 拓臻制药公司 | 2023-07-28 | — | — | CN | disclosed |
| EP-3053917-A1 | T-TYPE CALCIUM CHANNEL BLOCKER | Nissan Chemical Industries, Ltd. (JP) | 2016-08-10 | — | — | EP | disclosed |
| EP-1998620-A4 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1998620-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007106349-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-09-20 | — | — | WO | disclosed |
| US-5700809-A | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |