Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25219877 | 0.85 | AKR1B1 (0.35) | ALDH1A1KDM4ETSHRTDP1TUBB1 | |
| SCHEMBL9578716 | 0.85 | ALDH1A1 (0.38) | GABRA1GABRB2ALDH1A1KDM4ETSHR | |
| SCHEMBL5313876 | 0.84 | ERN1 (0.48) | GABRA1GABRB2ALDH1A1KDM4ETSHR | |
| SCHEMBL30656487 | 0.80 | POLB (0.38) | ALDH1A1KDM4ETSHRTDP1BACE1 | |
| SCHEMBL9049956 | 0.80 | PTGS2 (0.43) | TUBB1PTGS2TUBB4ATUBBTUBA3C | |
| SCHEMBL22090609 | 0.78 | ERN1 (0.45) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL28418398 | 0.78 | ERN1 (0.57) | ALDH1A1ERN1PRKDCBACE1FDPS | |
| SCHEMBL9051103 | 0.77 | CYP3A4 (0.45) | TDP1TUBB1ERN1PTGS2TUBB4A | |
| SCHEMBL14511765 | 0.76 | PRKDC (0.47) | ALDH1A1TSHRTUBB1ERN1PRKDC | |
| SCHEMBL30401888 | 0.75 | ERN1 (0.41) | ALDH1A1TSHRERN1PRKDCBACE1 |
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-0419905-B1 | Quinone derivatives and pharmacological use | EISAI CO LTD (JP) | 1996-01-17 | — | — | EP | disclosed |
| US-5385942-A | Therapy of cirrhosis, liver disorders | EISAI CO., LTD. (JP) | 1995-01-31 | — | — | US | disclosed |
| US-5210239-A | Treatment of Hepatic Diseases | EISAI CO., LTD. (JP) | 1993-05-11 | — | — | US | disclosed |
| EP-0419905-A2 | Quinone derivatives and pharmacological use | Eisai Co., Ltd. (JP) | 1991-04-03 | — | — | EP | disclosed |