Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 7/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28449048 | 0.87 | GAA (0.50) | ALDH1A1KDM4ETDP1GAAMAPT | |
| SCHEMBL6137229 | 0.83 | GLO1 (0.56) | ALDH1A1KDM4ETDP1GAAPOLB | |
| SCHEMBL6137225 | 0.83 | GLO1 (0.56) | ALDH1A1KDM4ETDP1GAAPOLB | |
| SCHEMBL13792808 | 0.83 | TDP1 (0.43) | ALDH1A1KDM4ETDP1GAAGLA | |
| SCHEMBL8038631 | 0.81 | ALDH1A1 (0.47) | ALDH1A1PYGLPTGS2 | |
| SCHEMBL7016901 | 0.80 | TDP1 (0.46) | ALDH1A1KDM4ETDP1GAAGLA | |
| SCHEMBL7014950 | 0.80 | TDP1 (0.46) | ALDH1A1KDM4ETDP1GAAGLA | |
| SCHEMBL14198040 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PYGLPTGS2 | |
| SCHEMBL7615822 | 0.79 | AKR1C3 (0.55) | ALDH1A1PYGLPTGS2 | |
| SCHEMBL2008473 | 0.79 | AKR1C3 (0.55) | ALDH1A1PYGLPTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001049660-A1 | A PROCESS FOR PREPARING 3-{[3-CHLORO-4-(METHYLSULFONYL)-PHENYL]METHYLENE}-2,4-PENTANEDIONE | ORION CORPORATION (FI) | 2001-07-12 | — | — | WO | disclosed |
| EP-0440324-B1 | Substituted beta-diketones and their use in the treatment of inflammatory bowel disease | ORION YHTYMAE OY (FI) | 2000-04-12 | — | — | EP | disclosed |
| US-5292771-A | Treating inflammatory bowel disease | ORION-YHTYMA OY (FI) | 1994-03-08 | — | — | US | disclosed |
| US-5185370-A | Substituted β-diketones and their use | ORION-YHTYMA OY (FI) | 1993-02-09 | — | — | US | disclosed |
| EP-0440324-A2 | Substituted beta-diketones and their use | ORION-YHTYMÀ OY (FI) | 1991-08-07 | — | — | EP | disclosed |