Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31573213 | 1.00 | TDP1 (0.34) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL9714156 | 1.00 | TDP1 (0.34) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL9714209 | 0.85 | CHRM1 (0.33) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL576118 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL9714082 | 0.81 | MAPK1 (0.35) | TP53 | |
| SCHEMBL5803689 | 0.80 | ACE2 (0.38) | TP53 | |
| SCHEMBL5806254 | 0.80 | ACE2 (0.38) | TP53 | |
| SCHEMBL28855147 | 0.77 | CA14 (0.43) | GAAKMT2A | |
| SCHEMBL28855151 | 0.77 | ALDH1A1 (0.39) | GAAKMT2A | |
| SCHEMBL3441094 | 0.75 | ALDH1A1 (0.50) | TDP1CYP1A2GAACYP2C9PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000076960-A1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-ACYL DERIVATIVES OF METHYL N-(2,6-DIMETHYLPHENYL)-D-ALANINATE | ISAGRO S.P.A. (IT) | 2000-12-21 | — | — | WO | disclosed |