Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 9/20 | 0.44 |
| ▸ | PPARA | Q07869 | 9/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19562553 | 0.98 | HDAC8 (0.51) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL30122908 | 0.84 | CA12 (0.66) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL23078607 | 0.83 | HDAC8 (0.40) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL3798335 | 0.82 | CA12 (0.62) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL23099325 | 0.81 | MEN1 (0.44) | HDAC8HDAC6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28619809 | 0.80 | TNF (0.53) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL27354695 | 0.80 | BACE1 (0.39) | — | |
| SCHEMBL27354597 | 0.80 | MCL1 (0.46) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL4894003 | 0.80 | CA12 (0.61) | CA12CA1CA2CA9HDAC8 | |
| Biphenyl SCHEMBL4006980 | 0.80 | CA12 (0.61) | CA12CA1CA2CA9HDAC8 |
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-2024013275-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2024-01-18 | — | — | WO | disclosed |