Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.70 |
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 SCHEMBL29169488 | 0.87 | CA4 (0.93) | CA4LTA4HCES2CES1ACP3 | |
| Anisole SCHEMBL4965675 | 0.84 | CA4 (0.78) | CA4LTA4HCES2CES1CA1 | |
| Anisole SCHEMBL5864971 | 0.84 | CA4 (0.78) | CA4LTA4HCES2CES1CA1 | |
| Anisole SCHEMBL18227834 | 0.84 | CA4 (0.88) | CA4LTA4HCES2CES1ACP3 | |
| Anisole SCHEMBL28228794 | 0.84 | CA4 (0.88) | CA4LTA4HCES2CES1ACP3 | |
| Anisole SCHEMBL28813915 | 0.84 | CA4 (1.00) | CA4LTA4HCES2CES1CA1 | |
| Anisole SCHEMBL1205 | 0.84 | — | — | |
| Anisole SCHEMBL8472521 | 0.84 | CA4 (1.00) | CA4LTA4HCES2CES1CA1 | |
| Anisole SCHEMBL30601749 | 0.84 | — | — | |
| Anisole SCHEMBL2493788 | 0.84 | CA4 (1.00) | CA4LTA4HCES2CES1CA1 |
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-105384658-B | A kind of method for synthesizing anise nitrile | 扬州大学 | 2017-11-17 | — | — | CN | disclosed |