Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31242992 | 0.86 | CYP2D6 (0.64) | CYP2D6EPHX1KMT2ALMNASRC | |
| SCHEMBL3384640 | 0.82 | CYP2D6 (0.73) | CYP2D6KMT2ALMNASRCHPGD | |
| SCHEMBL3704070 | 0.80 | CYP2D6 (0.56) | CYP2D6EPHX1KMT2ALMNASRC | |
| SCHEMBL11022438 | 0.80 | CYP2D6 (0.56) | CYP2D6EPHX1KMT2ALMNASRC | |
| SCHEMBL12870188 | 0.80 | CYP2D6 (0.56) | CYP2D6KMT2ALMNASRCHPGD | |
| SCHEMBL29054565 | 0.79 | CYP2D6 (0.61) | CYP2D6EPHX1KMT2ALMNASRC | |
| SCHEMBL5475337 | 0.78 | CYP2D6 (0.54) | CYP2D6EPHX1KMT2ALMNATSHR | |
| SCHEMBL14749339 | 0.78 | CYP2D6 (0.54) | CYP2D6EPHX1KMT2ALMNATSHR | |
| SCHEMBL1483328 | 0.78 | CYP2D6 (0.54) | CYP2D6EPHX1KMT2ALMNATSHR | |
| SCHEMBL1091960 | 0.77 | EPHX1 (0.48) | CYP2D6EPHX1KMT2ALMNASRC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4536599-A | HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0040896-B1 | SYNTHESIS OF AMIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-04-25 | — | — | EP | disclosed |
| EP-0040896-A2 | Synthesis of amides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0008532-A1 | Synthesis of amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-03-05 | — | — | EP | disclosed |