Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.62 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11478296 | 0.87 | CA1 (0.60) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL15270925 | 0.85 | CA1 (0.50) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL5106640 | 0.82 | CA1 (0.66) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL25385586 | 0.81 | CA1 (0.62) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL8897395 | 0.81 | CA1 (0.62) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL28388652 | 0.80 | MAPT (0.65) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL3021735 | 0.79 | CA1 (0.60) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL14420469 | 0.79 | TP53 (0.63) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL935315 | 0.79 | TP53 (0.63) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL249567 | 0.79 | TP53 (0.63) | CA1CA2CES2CES1NPC1 |
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-109369391-A | A kind of synthetic method of fragrance dichloro methyl esters | 南昌大学 | 2019-02-22 | — | — | CN | disclosed |