Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.62 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15215650 | 0.86 | AKR1C1 (0.48) | HDAC9AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL10571417 | 0.83 | HDAC9 (0.67) | HDAC9AKR1C1HDAC4HSD11B1ALOX15 | |
| SCHEMBL890180 | 0.81 | AKR1C1 (0.57) | HDAC9AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL3737199 | 0.78 | AKR1C1 (0.70) | AKR1C1HDAC4OPRD1HSD11B1CA12 | |
| SCHEMBL12928712 | 0.78 | AKR1C1 (0.64) | AKR1C1HDAC4OPRD1HSD11B1CA12 | |
| SCHEMBL17316173 | 0.77 | HDAC9 (1.00) | HDAC9AKR1C1HDAC4 | |
| SCHEMBL24663621 | 0.76 | AKR1C1 (0.52) | HDAC9AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL1838291 | 0.76 | AKR1C1 (0.68) | AKR1C1HDAC4HSD11B1P2RX7 | |
| SCHEMBL8324812 | 0.76 | OPRM1 (0.63) | OPRM1OPRD1HSD11B1SLC22A1SLC6A4 | |
| SCHEMBL17316010 | 0.75 | OPRM1 (0.67) | HDAC9OPRM1OPRD1SLC22A1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015187542-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI FOUNDATION INC. (US) | 2015-12-10 | — | — | WO | disclosed |