Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28548638 | 0.81 | NPC1 (0.52) | NPC1GAACES2CES1RAB9A | |
| P-Anisic Acid SCHEMBL27338972 | 0.81 | CA1 (0.95) | CA1CA2NPC1CES2CES1 | |
| SCHEMBL29020924 | 0.80 | CA1 (0.71) | CA1CA2NPC1GAACES2 | |
| SCHEMBL28552099 | 0.80 | PTGS2 (0.51) | NPC1GAARAB9ASMN1; SMN2KMT2A | |
| P-Anisic Acid SCHEMBL43335 | 0.79 | CA1 (1.00) | CA1CA2NPC1CES2CES1 | |
| P-Anisic Acid SCHEMBL1157044 | 0.79 | CA1 (1.00) | CA1CA2NPC1CES2CES1 | |
| P-Anisic Acid SCHEMBL38654440 | 0.77 | CA1 (0.95) | CA1CA2NPC1CES2CES1 | |
| P-Anisic Acid SCHEMBL17891327 | 0.77 | CA1 (0.95) | CA1CA2NPC1CES2CES1 | |
| P-Anisic Acid SCHEMBL846287 | 0.77 | CA1 (0.95) | CA1CA2NPC1CES2CES1 | |
| P-Anisic Acid SCHEMBL15548197 | 0.77 | CA1 (0.95) | CA1CA2NPC1CES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112746289-B | Synthesis method of alkyl borate compound | 合肥工业大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-112746289-A | Synthesis method of alkyl borate compound | 合肥工业大学 | 2021-05-04 | — | — | CN | disclosed |