Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.68 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.68 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.61 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.61 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6836134 | 0.90 | ALDH1A1 (0.69) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL27527191 | 0.89 | ALDH1A1 (0.63) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL6833560 | 0.88 | MCL1 (0.74) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL15082519 | 0.88 | HSD17B3 (0.61) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL15082515 | 0.88 | MCL1 (0.61) | MCL1HSD17B3ALDH1A1TSHRALDH1A2 | |
| SCHEMBL18032945 | 0.88 | ALDH1A1 (0.62) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL15082517 | 0.85 | HSD17B3 (0.58) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL8807721 | 0.85 | HSD17B3 (0.58) | MCL1HSD17B3AKR1B1ALDH1A1TSHR | |
| SCHEMBL8702449 | 0.85 | MCL1 (0.75) | MCL1HSD17B3AKR1B1ALDH1A1KDM4E | |
| SCHEMBL27508630 | 0.83 | MCL1 (0.68) | MCL1HSD17B3AKR1B1ALDH1A1TSHR |
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 |