Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | PRKCI | P41743 | 1/20 | 0.52 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL478933 | 1.00 | HDAC1 (0.61) | HDAC1HDAC6PRKCICREBBPALDH1A1 | |
| SCHEMBL5332682 | 0.85 | HDAC1 (0.47) | HDAC1HDAC6PRKCICREBBPALDH1A1 | |
| SCHEMBL935912 | 0.83 | PRKCI (0.56) | HDAC1HDAC6PRKCICREBBPALDH1A1 | |
| SCHEMBL863794 | 0.83 | HDAC1 (0.66) | HDAC1HDAC6ALDH1A1CES2CES1 | |
| SCHEMBL29367661 | 0.81 | HDAC1 (0.63) | HDAC1HDAC6ALDH1A1CES2CES1 | |
| SCHEMBL1627106 | 0.81 | HDAC1 (0.63) | HDAC1HDAC6ALDH1A1CES2CES1 | |
| SCHEMBL97816 | 0.81 | HDAC1 (0.63) | HDAC1HDAC6ALDH1A1CES2CES1 | |
| SCHEMBL4453036 | 0.81 | MAPT (0.61) | HDAC1HDAC6ALDH1A1MAPTRAB9A | |
| SCHEMBL29669896 | 0.80 | CES2 (0.67) | CES2CES1NPC1MAPTRAB9A | |
| SCHEMBL75801 | 0.80 | CES2 (0.67) | CES2CES1NPC1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3560926-B1 | 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE COMPOUNDS AS BRK INHIBITORS | ONO PHARMACEUTICAL CO (JP) | 2022-02-23 | — | — | EP | disclosed |