Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10356299 | 0.92 | CA2 (0.50) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10319114 | 0.85 | HSD11B1 (0.49) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10319574 | 0.83 | HSD11B1 (0.50) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10320192 | 0.83 | HSD11B1 (0.50) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL9617737 | 0.83 | HSD11B1 (0.50) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10031948 | 0.81 | SPHK1 (0.44) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10356878 | 0.79 | CA2 (0.50) | HSD11B1ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL6131261 | 0.79 | ALDH1A1 (0.57) | HSD11B1ALDH1A1HSD17B10HPGDTRPV1 | |
| Butylbenzyl SCHEMBL16051 | 0.79 | SIGMAR1 (0.59) | HSD11B1ALDH1A1HSD17B10HPGDKCNH2 | |
| Butylbenzyl SCHEMBL22716183 | 0.79 | SIGMAR1 (0.59) | HSD11B1ALDH1A1HSD17B10HPGDKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150303397-A1 | INORGANIC BARRIER LAYERS | MERCK PATENT GMBH (DE) | 2015-10-22 | — | — | US | disclosed |