Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL8545939 | 0.82 | TYMS (0.47) | CES1CHEK1MAOAAHR | |
| SCHEMBL579274 | 0.82 | CES1 (1.00) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL2156357 | 0.82 | CES1 (1.00) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL26462189 | 0.81 | CES1 (0.46) | CES1ALDH1A1S100A4DNMT1CYP2A6 | |
| SCHEMBL8758317 | 0.75 | CES1 (0.84) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL8592056 | 0.74 | CES1 (0.57) | CES1ALDH1A1NPC1POLBMAPT | |
| SCHEMBL10628577 | 0.73 | CES1 (0.57) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL29804648 | 0.73 | ALDH1A1 (0.59) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL11312965 | 0.73 | ALDH1A1 (0.59) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL28784729 | 0.71 | CES1 (0.57) | CES1ALDH1A1CES2BCHEMCL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536208-B1 | 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS | RES CORP TECHNOLOGIES INC (US) | 1998-01-21 | — | — | EP | disclosed |
| US-5635506-A | ANTITUMOR AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0660824-A1 | 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS | RESEARCH CORPORATION TECHNOLOGIES (US) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006771-A9 | 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS | — | 1994-06-09 | — | — | WO | disclosed |
| WO-1994006771-A1 | 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1994-03-31 | — | — | WO | disclosed |
| EP-0536208-A4 | 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS | — | 1993-05-05 | — | — | EP | disclosed |
| EP-0536208-A1 | 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992000281-A1 | 1,2-DIHYDRO-3H-DIBENZISOQUINOLINE-1,3-DIONE ANTICANCER AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1992-01-09 | — | — | WO | disclosed |