Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.73 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenylethyl Alcohol SCHEMBL7240959 | 0.88 | TDP1 (0.94) | TDP1CA2TSHRALDH1A1MAOB | |
| Acetonitrile SCHEMBL28305683 | 0.85 | MAOB (0.56) | TDP1ALDH1A1MAOBMAOAHPGD | |
| Phenylethyl Alcohol SCHEMBL10904935 | 0.85 | TDP1 (0.89) | TDP1CA2TSHRALDH1A1CYP4F2 | |
| Phenylethyl Alcohol SCHEMBL9354513 | 0.85 | TDP1 (0.89) | TDP1CA2TSHRALDH1A1MAOB | |
| Phenylethyl Alcohol SCHEMBL1838 | 0.85 | — | — | |
| Phenylethyl Alcohol SCHEMBL11450063 | 0.85 | TDP1 (1.00) | TDP1CA2TSHRALDH1A1MAOB | |
| Phenylethyl Alcohol SCHEMBL1867158 | 0.85 | TDP1 (1.00) | TDP1CA2TSHRALDH1A1MAOB | |
| Phenylethyl Alcohol SCHEMBL8968173 | 0.85 | TDP1 (1.00) | TDP1CA2TSHRALDH1A1MAOB | |
| Phenylethyl Alcohol SCHEMBL28820852 | 0.85 | TDP1 (1.00) | TDP1CA2TSHRALDH1A1MAOB | |
| Phenylethyl Alcohol SCHEMBL27927126 | 0.85 | TDP1 (1.00) | TDP1CA2TSHRALDH1A1MAOB |
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-105738500-B | A kind of quantitative chemical analysis method of no reference substance | 北京理工大学 | 2018-01-12 | — | — | CN | disclosed |