Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.42 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.42 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25398002 | 1.00 | CA1 (0.46) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25397995 | 1.00 | CA1 (0.46) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25401694 | 0.89 | CA1 (0.55) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25401688 | 0.89 | CA1 (0.55) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25399144 | 0.89 | CA1 (0.57) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25399140 | 0.89 | CA1 (0.57) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25399344 | 0.88 | NPC1 (0.48) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25399350 | 0.88 | NPC1 (0.48) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25397422 | 0.85 | PSMB5 (0.52) | CA1CA2POLBPSMB5CYP1A2 | |
| SCHEMBL25399609 | 0.85 | NPSR1 (0.53) | CA1CA2POLBPSMB5CYP1A2 |
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-2022123530-A1 | BORONIC ACID COMPOUND | 주식회사 엘지화학 | 2022-06-16 | — | — | WO | disclosed |