Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.74 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.68 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | HPGD | P15428 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 4/20 | 0.57 |
| ▸ | CASP1 | P29466 | 3/20 | 0.57 |
| ▸ | CASP7 | P55210 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6836133 | 0.88 | MCL1 (0.68) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL14925273 | 0.88 | MCL1 (0.67) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL13058664 | 0.86 | HSD17B3 (0.58) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL8706801 | 0.85 | MCL1 (1.00) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL6836134 | 0.85 | ALDH1A1 (0.69) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL27527191 | 0.84 | ALDH1A1 (0.63) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL8706946 | 0.84 | MCL1 (0.72) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL13353968 | 0.84 | MCL1 (0.72) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL8702627 | 0.84 | MCL1 (1.00) | MCL1AKR1B1HSD17B3ALDH1A1HPGD | |
| SCHEMBL8704051 | 0.84 | MCL1 (0.72) | MCL1AKR1B1HSD17B3ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6750249-B1 | GRADUALLY RELEASE ESCULETIN OR ITS DERIVATIVE IN A CONTROLLED MANNER OVER A LONG PERIOD OF TIME | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-06-15 | — | — | US | disclosed |
| EP-1121931-A1 | CONTROLLED RELEASE ORAL PREPARATIONS OF ESCULETIN AND ITS DERIVATIVES | Kureha Chemical Industry Co., Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |
| EP-0654479-B1 | Esculetin derivatives and method for manufacture thereof, use thereof, and pharmaceutical composition | KUREHA CHEMICAL IND CO LTD (JP) | 2000-03-15 | — | — | EP | disclosed |
| US-5736522-A | Esculetin derivatives and method for manufacture thereof, use thereof, and pharmaceutical composition | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0654479-A2 | Esculetin derivatives and method for manufacture thereof, use thereof, and pharmaceutical composition | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-05-24 | — | — | EP | disclosed |