Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 4/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553870 | 1.00 | NQO2 (0.44) | NQO2ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL16617490 | 0.77 | CYP3A4 (0.47) | NQO2CYP1A1CYP1B1TUBB1ABCG2 | |
| SCHEMBL16617488 | 0.77 | CYP3A4 (0.47) | NQO2CYP1A1CYP1B1TUBB1ABCG2 | |
| SCHEMBL6965083 | 0.77 | KDM4E (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL6965079 | 0.77 | KDM4E (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL6965089 | 0.77 | KDM4E (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL29229612 | 0.75 | GAA (0.41) | NQO2ALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL6553381 | 0.72 | PRSS1 (0.43) | ALDH1A1GAA | |
| SCHEMBL6553386 | 0.72 | PRSS1 (0.43) | ALDH1A1GAA | |
| SCHEMBL16952485 | 0.72 | ALDH1A1 (0.50) | NQO2ALDH1A1PDE4APDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149067-B1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2004-02-25 | — | — | EP | disclosed |
| EP-1149067-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-6310247-B1 | HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |
| WO-2000035856-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |