Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CASP1 | P29466 | 4/20 | 0.60 |
| ▸ | CASP7 | P55210 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | GLA | P06280 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | AR | P10275 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5272845 | 0.87 | CYP2C9 (0.76) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL10955623 | 0.84 | KDM4E (0.78) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL14384569 | 0.83 | CYP2C9 (0.70) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL14111526 | 0.81 | AKR1B1 (0.56) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL10637081 | 0.76 | HSD17B3 (0.69) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL3136947 | 0.76 | HSD17B3 (0.60) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL2554744 | 0.75 | KDM4E (1.00) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL30406107 | 0.75 | KDM4E (1.00) | KDM4EALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL5905798 | 0.75 | CYP2C9 (0.79) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL4209634 | 0.73 | KDM4E (0.76) | KDM4EALDH1A1CASP1CASP7HSD17B10 |
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-1119639-B1 | 7-ALKOXYCOUMARINS AS CYP2C9 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 2007-11-28 | — | — | EP | disclosed |
| US-6756209-B1 | FOR TESTING FOR INHIBITORS OF THE ENZYME CYP2C9(CYTOCHROME P450) WHICH IS RESPONSIBLE FOR THE METABOLISM OF DRUGS | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-06-29 | — | — | US | disclosed |
| EP-1119639-A1 | 7-ALKOXYCOUMARINS AS CYP2C9 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000022159-A1 | 7-ALKOXYCOUMARINS AS CYP2C9 SUBSTRATES | SMITHKLINE BEECHAM PLC (GB) | 2000-04-20 | — | — | WO | disclosed |