Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8437322 | 0.91 | NPSR1 (0.49) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL8440699 | 0.86 | NPSR1 (0.57) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL8345995 | 0.85 | NPSR1 (0.89) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL11864469 | 0.85 | NPSR1 (0.56) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL8441182 | 0.83 | NPSR1 (0.44) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL8441842 | 0.80 | TSHR (0.68) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL9120515 | 0.80 | NPSR1 (0.62) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL11863359 | 0.80 | TSHR (0.67) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL14986926 | 0.79 | NPSR1 (1.00) | NPSR1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL8602746 | 0.78 | TSHR (0.58) | NPSR1HPGDKDM4ETSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717036-B1 | Use of 5-acyl-1,4-dihydropyridines for the treatment of diseases of the CNS | BAYER AG (DE) | 1999-03-17 | — | — | EP | claimed |
| US-5646166-A | POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-08 | — | — | US | claimed |