Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MC3R | P41968 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211550 | 0.83 | ALDH1A1 (0.40) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL11095898 | 0.81 | CNR2 (0.44) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL710572 | 0.80 | CYP2D6 (0.46) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Ethylene SCHEMBL29161565 | 0.79 | GABBR2 (0.42) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL9068581 | 0.77 | ALDH1A1 (0.51) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL5157376 | 0.75 | ALDH1A1 (0.64) | CYP1A2SMN1; SMN2NPSR1ALDH1A1CYP3A4 | |
| SCHEMBL1371273 | 0.75 | MMP8 (0.50) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL712324 | 0.74 | KMT2A (0.56) | PKMSMN1; SMN2ALDH1A1CYP3A4LMNA | |
| SCHEMBL212215 | 0.73 | ALDH1A1 (0.51) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL19551413 | 0.73 | KLK7 (0.54) | SMN1; SMN2ALDH1A1GAAEPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295316-B1 | Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones | AMERICAN CYANAMID CO (US) | 1995-11-08 | — | — | EP | disclosed |
| EP-0489220-A1 | Cytotoxic N,N'-bis (succinyl-peptide-) derivatives of 1,4-bis (aminoalkyl)-5,8-dihydroxyanthraquinones and antibody conjugates thereof | AMERICAN CYANAMID COMPANY (US) | 1992-06-10 | — | — | EP | disclosed |