Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DBH | P09172 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL633160 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9GSK3BGAA | |
| SCHEMBL20703078 | 0.82 | CES2 (0.52) | ALDH1A1CYP1A2CYP2C9GSK3BRECQL | |
| SCHEMBL2818719 | 0.82 | CA1 (0.50) | ALDH1A1CYP1A2CYP2C9GSK3BLMNA | |
| SCHEMBL634337 | 0.82 | CES2 (0.52) | ALDH1A1CYP1A2CYP2C9GSK3BRECQL | |
| SCHEMBL1938267 | 0.80 | CES2 (0.50) | ALDH1A1CYP1A2CYP2C9GSK3BSMN1; SMN2 | |
| SCHEMBL2358091 | 0.80 | CYP2C9 (0.50) | ALDH1A1CYP1A2CYP2C9GSK3BKDM4E | |
| SCHEMBL634548 | 0.80 | CES2 (0.50) | ALDH1A1CYP1A2CYP2C9GSK3BLMNA | |
| SCHEMBL5757857 | 0.80 | GSK3B (0.69) | ALDH1A1CYP1A2CYP2C9GSK3BKDM4E | |
| SCHEMBL19695429 | 0.79 | TDP1 (0.52) | ALDH1A1CYP1A2CYP2C9GSK3BLMNA | |
| SCHEMBL187606 | 0.79 | TDP1 (0.52) | ALDH1A1CYP1A2CYP2C9GSK3BLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5726185-A | BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION | HOFFMANN-LA ROCHE INC. (US) | 1998-03-10 | — | — | US | disclosed |