Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8871052 | 0.86 | TSHR (0.61) | TSHRHSD17B10NPSR1ADORA3MEN1 | |
| SCHEMBL8437356 | 0.83 | ADORA3 (0.42) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL8441842 | 0.82 | TSHR (0.68) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL8345995 | 0.82 | NPSR1 (0.89) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL11864469 | 0.82 | NPSR1 (0.56) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL11863359 | 0.81 | TSHR (0.67) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL9064391 | 0.81 | ADORA3 (0.78) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL16189736 | 0.80 | TSHR (0.66) | TSHRHSD17B10NPSR1ADORA3MEN1 | |
| SCHEMBL14987375 | 0.78 | TSHR (0.79) | TSHRHSD17B10NPSR1HPGDKDM4E | |
| SCHEMBL7160123 | 0.78 | ADORA3 (0.85) | TSHRHSD17B10NPSR1HPGDKDM4E |
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 |