Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560205 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1SIGMAR1DRD2HTR2A | |
| SCHEMBL8564966 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KCNH2 | |
| SCHEMBL8564961 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KCNH2 | |
| SCHEMBL1542776 | 0.81 | ALDH1A1 (0.49) | KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL16874550 | 0.80 | KCNH2 (0.51) | KCNH2 | |
| SCHEMBL8564268 | 0.80 | DDB1 (0.50) | ALDH1A1SIGMAR1ACHEHDAC1 | |
| SCHEMBL8564264 | 0.80 | DDB1 (0.50) | ALDH1A1SIGMAR1ACHEHDAC1 | |
| SCHEMBL16874845 | 0.79 | TEAD1 (0.43) | ALDH1A1TEAD1KCNH2 | |
| SCHEMBL16885923 | 0.77 | ALDH1A1 (0.54) | KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL8562132 | 0.77 | GAA (0.56) | ALDH1A1SIGMAR1CHKA |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |