Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8491623 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1SLC6A2SLC6A4KCNK3 | |
| SCHEMBL8492233 | 0.85 | CES2 (0.50) | KDM4EALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8491740 | 0.84 | ESR1 (0.36) | KDM4EALDH1A1GAACNR2 | |
| SCHEMBL8491735 | 0.84 | ESR1 (0.36) | KDM4EALDH1A1GAACNR2 | |
| SCHEMBL8494780 | 0.84 | KCNK3 (0.41) | KDM4EKCNK3KCNK9LMNAGAA | |
| SCHEMBL8494784 | 0.84 | KCNK3 (0.41) | KDM4EKCNK3KCNK9LMNAGAA | |
| SCHEMBL7689151 | 0.83 | PTK2 (0.36) | KDM4EALDH1A1SLC6A2SLC6A4KCNK3 | |
| SCHEMBL8817690 | 0.83 | CCR6 (0.41) | KDM4EALDH1A1GAACHRM5 | |
| SCHEMBL8817699 | 0.83 | CCR6 (0.41) | KDM4EALDH1A1GAACHRM5 | |
| SCHEMBL9193411 | 0.82 | HPGD (0.34) | ALDH1A1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |
| EP-0418175-B1 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE (GB) | 1996-07-17 | — | — | EP | disclosed |