Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9451550 | 0.85 | LCK (0.38) | SMN1; SMN2ALDH1A1HPGDGDAKDM4E | |
| SCHEMBL9451693 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL6896283 | 0.73 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1HPGDGDAKDM4E | |
| SCHEMBL27593194 | 0.70 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL1366483 | 0.69 | PDGFRB (0.57) | SMN1; SMN2ALDH1A1HPGDKDM4EADORA2A | |
| SCHEMBL9451547 | 0.68 | LCK (0.39) | — | |
| SCHEMBL20012256 | 0.68 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13915414 | 0.67 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1HPGDGDAMAPT | |
| SCHEMBL12820930 | 0.67 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1HPGDGDAKDM4E | |
| SCHEMBL12620149 | 0.67 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1HPGDKDM4EMAPT |
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-0567223-A1 | Glutamic acid derivatives as antineoplastic agents | ELI LILLY AND COMPANY (US) | 1993-10-27 | — | — | EP | disclosed |
| US-5196424-A | Antitumor | ELI LILLY AND COMPANY (US) | 1993-03-23 | — | — | US | disclosed |