Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL27727512 | 0.86 | CA4 (0.61) | CA4CES2CES1RAB9ANPC1 | |
| Biphenyl SCHEMBL3991647 | 0.84 | POLB (0.47) | RAB9ANPC1ALDH1A1SMN1; SMN2MAPT | |
| Phenetole SCHEMBL28295089 | 0.84 | LTA4H (0.52) | RAB9ANPC1LTA4HALDH1A1SMN1; SMN2 | |
| Phenol SCHEMBL27480309 | 0.82 | ESRRB (0.49) | CA4CA1CA2ALDH1A1SMN1; SMN2 | |
| Toluene SCHEMBL27945492 | 0.82 | POLB (0.46) | CES2CES1RAB9ANPC1ALDH1A1 | |
| Benzene SCHEMBL28161453 | 0.81 | LMNA (0.54) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| Benzophenone SCHEMBL7081803 | 0.81 | ALDH1A1 (0.54) | RAB9ANPC1ALDH1A1MAPTPOLB | |
| Phenol SCHEMBL28008035 | 0.81 | ESRRB (0.47) | CA4CA1CA2ALDH1A1SMN1; SMN2 | |
| Chlorobenzene SCHEMBL27773693 | 0.81 | POLB (0.44) | CES2CES1RAB9ANPC1ALDH1A1 | |
| Catechol SCHEMBL27778055 | 0.80 | LMNA (0.48) | CA4RAB9ANPC1CA1CA2 |
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-109734617-A | A kind of method for splitting replacing aromatic ring phenylglycine aliphatic alcohol ester | 华东理工大学 | 2019-05-10 | — | — | CN | disclosed |