Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27686606 | 1.00 | CA12 (0.48) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL534043 | 0.96 | CA12 (0.47) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27571439 | 0.89 | CA12 (0.43) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27902263 | 0.88 | CA12 (0.42) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29212556 | 0.88 | CA12 (0.42) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29551646 | 0.86 | CA12 (0.59) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL4541662 | 0.86 | CA12 (0.59) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29551674 | 0.83 | CA12 (0.61) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL3633054 | 0.83 | CA12 (0.61) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL3294993 | 0.81 | CA12 (0.55) | CA12CA1CA2CA9MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |