Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL16002437 | 0.85 | DHFR (0.41) | NUDT1HDAC1HDAC8HDAC6HDAC5 | |
| SCHEMBL23671166 | 0.83 | NUDT1 (0.42) | NUDT1ACACBGRM4IRAK4 | |
| SCHEMBL5638034 | 0.77 | NUDT1 (0.40) | NUDT1GRM4IRAK4 | |
| SCHEMBL24351052 | 0.74 | NUDT1 (0.39) | NUDT1HDAC1HDAC8HDAC6HDAC5 | |
| SCHEMBL31119561 | 0.72 | NUDT1 (0.35) | NUDT1HDAC1HDAC8HDAC6HDAC5 | |
| SCHEMBL18888380 | 0.70 | LRRK2 (0.45) | LRRK2 | |
| SCHEMBL18896825 | 0.69 | BTK (0.40) | NUDT1HDAC1HDAC8HDAC6HDAC5 | |
| SCHEMBL31446022 | 0.69 | NUDT1 (0.40) | NUDT1HDAC1HDAC8HDAC6HDAC5 | |
| SCHEMBL2632782 | 0.69 | — | — | |
| SCHEMBL30756042 | 0.69 | — | — |
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-3728223-B1 | CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-12-28 | — | — | EP | disclosed |