Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667898 | 0.80 | CES2 (0.53) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL9943776 | 0.74 | CA1 (0.51) | NR1I2TAS1R3TAS1R1CES2CES1 | |
| SCHEMBL10357853 | 0.71 | NQO2 (0.47) | NR1I2TAS1R3TAS1R1CES2CES1 | |
| SCHEMBL4998485 | 0.71 | CA1 (0.67) | NR1I2CES2CES1CA1CA2 | |
| SCHEMBL23966514 | 0.71 | ALDH1A1 (0.50) | TAS1R3TAS1R1HDAC3HDAC1HDAC2 | |
| SCHEMBL20273283 | 0.70 | GPR52 (0.67) | MAPTCYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL4254809 | 0.70 | THRB (0.47) | TAS1R3TAS1R1MAPTKMT2A | |
| SCHEMBL28586063 | 0.70 | CA1 (0.64) | CES2CES1CA1CA2GSK3B | |
| Butane SCHEMBL10982980 | 0.70 | KMT2A (0.66) | NR1I2CES2CES1CA1CA2 | |
| SCHEMBL9333553 | 0.69 | CES1 (0.44) | CES2CES1MAPTCYP1A2CYP3A4 |
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-111122747-A | Method for analyzing sensitized aromatic substances in cosmetics | 汕头出入境检验检疫局检验检疫技术中心 | 2020-05-08 | — | — | CN | disclosed |