Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2156357 | 0.77 | CES1 (1.00) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL579274 | 0.77 | CES1 (1.00) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL9041143 | 0.76 | CES1 (0.43) | CES1HPGDMAOACYP1A2ALDH1A1 | |
| SCHEMBL4845570 | 0.75 | CES1 (0.61) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL580216 | 0.75 | CES1 (0.65) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL29531588 | 0.74 | CES1 (0.65) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL69110 | 0.74 | CES1 (0.65) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL2519749 | 0.74 | CES1 (0.59) | CES1HPGDMAOAERBB2CYP1A2 | |
| SCHEMBL1266199 | 0.73 | ALDH1A1 (0.61) | CES1HPGDALDH1A1TSHRMAPK1 | |
| SCHEMBL51583 | 0.73 | CES1 (0.50) | CES1HPGDMAOAERBB2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0757676-A1 | DIHYDRODIBENZO(DE,H)ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-02-12 | — | — | EP | disclosed |
| WO-1995029895-A1 | DIHYDRODIBENZO(DE,H)ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1995-11-09 | — | — | WO | disclosed |