Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28311094 | 0.79 | IDO1 (0.56) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| Benzyl Alcohol SCHEMBL8858041 | 0.77 | LTA4H (0.69) | SMN1; SMN2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL4181089 | 0.77 | IDO1 (0.58) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| SCHEMBL27329 | 0.77 | IDO1 (0.58) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| Alcohol SCHEMBL27997419 | 0.75 | GRM4 (0.40) | LMNASMN1; SMN2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL1475480 | 0.75 | IDO1 (0.56) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| Methoxymethane SCHEMBL28284584 | 0.75 | IDO1 (0.56) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| SCHEMBL1477048 | 0.75 | IDO1 (0.56) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 | |
| Methyl Alcohol SCHEMBL27654181 | 0.75 | — | — | |
| Alcohol SCHEMBL2947640 | 0.73 | IDO1 (0.54) | SMN1; SMN2ALDH1A1CYP3A4TSHRSLC6A4 |
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-102933079-B | catechol-O-methyltransferase inhibitors and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-02-17 | — | — | CN | disclosed |