Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8567465 | 1.00 | ALDH1A1 (0.54) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL16874732 | 0.79 | HTR7 (0.48) | GRM2 | |
| SCHEMBL8565227 | 0.78 | MEN1 (0.52) | POLBCYP2D6SMN1; SMN2 | |
| SCHEMBL8565231 | 0.78 | MEN1 (0.52) | POLBCYP2D6SMN1; SMN2 | |
| SCHEMBL8564264 | 0.78 | DDB1 (0.50) | ALDH1A1POLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8564268 | 0.78 | DDB1 (0.50) | ALDH1A1POLBCYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL8897942 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| Bromide SCHEMBL8568645 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL8564966 | 0.75 | ALDH1A1 (0.53) | ALDH1A1POLBKCNH2HTT | |
| SCHEMBL8564961 | 0.75 | ALDH1A1 (0.53) | ALDH1A1POLBKCNH2HTT |
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 3 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 |
| CN-1150950-A | Cephalosporin derivatives | HOFFMANN LA ROCHE (CH) | 1997-06-04 | — | — | CN | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |