Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.40 |
| ▸ | GAPDH | P04406 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3160513 | 0.98 | ALDH1A1 (0.50) | ALDH1A1FAAHNOD1GPR84FFAR1 | |
| SCHEMBL9811519 | 0.95 | ALDH1A1 (0.46) | ALDH1A1FAAHNOD1GPR84FFAR1 | |
| SCHEMBL10679490 | 0.87 | ALDH1A1 (0.41) | ALDH1A1FAAHNOD1MAPTGRIK1 | |
| SCHEMBL861645 | 0.83 | FOLH1 (0.49) | SLC6A5 | |
| SCHEMBL861646 | 0.83 | FOLH1 (0.49) | SLC6A5 | |
| SCHEMBL29666181 | 0.83 | FOLH1 (0.49) | SLC6A5 | |
| SCHEMBL1062835 | 0.81 | FOLH1 (0.42) | ALDH1A1MAPTSLC6A5 | |
| SCHEMBL1062834 | 0.81 | FOLH1 (0.42) | ALDH1A1MAPTSLC6A5 | |
| SCHEMBL20586820 | 0.81 | FOLH1 (0.42) | ALDH1A1MAPTSLC6A5 | |
| SCHEMBL27863643 | 0.81 | FAAH (0.42) | ALDH1A1FAAHMAPTZDHHC20ZDHHC2 |
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-0033561-B1 | NOVEL 17-AMINO-16-HYDROXY STEROIDS OF THE ANDROSTANE AND OESTRANE SERIES AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1983-05-11 | — | — | EP | disclosed |
| US-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | disclosed |
| EP-0033561-A1 | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1981-08-12 | — | — | EP | disclosed |