Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8442358 | 0.84 | TSHR (0.45) | TSHRNPSR1LMNAHSD17B10KDM4E | |
| SCHEMBL8342104 | 0.82 | TSHR (0.60) | TSHRNPSR1LMNAHSD17B10KDM4E | |
| SCHEMBL8438113 | 0.79 | HPGD (0.60) | TSHRNPSR1LMNAHSD17B10KDM4E | |
| SCHEMBL8441182 | 0.79 | NPSR1 (0.44) | TSHRNPSR1LMNAHSD17B10KDM4E | |
| SCHEMBL8441847 | 0.76 | NPSR1 (0.40) | TSHRNPSR1LMNAHSD17B10KDM4E | |
| SCHEMBL8437356 | 0.75 | ADORA3 (0.42) | TSHRNPSR1HSD17B10KDM4EHPGD | |
| SCHEMBL9018579 | 0.74 | MAPT (0.47) | TSHRNPSR1LMNAALDH1A1 | |
| SCHEMBL9363842 | 0.72 | KMT2A (0.47) | TSHRNPSR1LMNAHSD17B10ALDH1A1 | |
| SCHEMBL10787692 | 0.71 | KDM4E (0.51) | TSHRNPSR1HSD17B10KDM4EHPGD | |
| SCHEMBL8441926 | 0.71 | TSHR (0.42) | TSHRNPSR1LMNAHSD17B10KDM4E |
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 |
| EP-0717036-A1 | Use of 5-acyl-1,4-dihydropyridines for the treatment of diseases of the CNS | BAYER AG (DE) | 1996-06-19 | — | — | EP | claimed |