Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9211137 | 1.00 | GPR3 (0.38) | GPR3HSD17B3S100A4DRD2DRD4 | |
| SCHEMBL9210375 | 0.88 | GPR3 (0.37) | GPR3HSD17B3S100A4DRD2DRD4 | |
| SCHEMBL9210378 | 0.88 | GPR3 (0.37) | GPR3HSD17B3S100A4DRD2DRD4 | |
| SCHEMBL9203647 | 0.79 | PTPRC (0.35) | S100A4PDK2CYP2A6ALOX15CA1 | |
| SCHEMBL9203655 | 0.79 | PTPRC (0.35) | S100A4PDK2CYP2A6ALOX15CA1 | |
| SCHEMBL9207977 | 0.78 | GPR84 (0.42) | DRD2TSHRHSD17B10CYP3A4ALDH1A1 | |
| SCHEMBL9207972 | 0.78 | GPR84 (0.42) | DRD2TSHRHSD17B10CYP3A4ALDH1A1 | |
| SCHEMBL9210087 | 0.75 | GPR3 (0.42) | GPR3PDK2CYP3A4ALDH1A1CYP2A6 | |
| SCHEMBL9210094 | 0.75 | GPR3 (0.42) | GPR3PDK2CYP3A4ALDH1A1CYP2A6 | |
| SCHEMBL9206858 | 0.70 | S100A4 (0.41) | GPR3HSD17B3S100A4DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0319073-B1 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME (GB) | 1995-08-23 | — | — | EP | disclosed |
| US-4927819-A | ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1990-05-22 | — | — | US | disclosed |
| EP-0319073-A2 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME LTD. (GB) | 1989-06-07 | — | — | EP | disclosed |