Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1783799 | 0.81 | CYP2D6 (0.58) | CYP2D6CYP1A2CYP2C19POLBNPC1 | |
| SCHEMBL1071766 | 0.74 | CYP2D6 (0.58) | CYP2D6CYP1A2CYP2C19POLBNPC1 | |
| SCHEMBL13514895 | 0.72 | CYP2D6 (0.76) | CYP2D6CYP1A2CYP2C19NPC1KMT2A | |
| SCHEMBL4576738 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP2C19NPC1KMT2A | |
| SCHEMBL3680773 | 0.70 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C19CYP3A4NPC1 | |
| SCHEMBL1783308 | 0.70 | CYP2D6 (0.71) | CYP2D6CYP1A2CYP2C19POLBKMT2A | |
| SCHEMBL1070690 | 0.69 | CYP1A2 (0.48) | CYP2D6CYP1A2CYP2C19POLBNPC1 | |
| SCHEMBL1070440 | 0.69 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP2C19POLBNPC1 | |
| SCHEMBL28684600 | 0.68 | CYP2D6 (0.69) | CYP2D6CYP1A2CYP2C19NPC1KMT2A | |
| SCHEMBL3677522 | 0.68 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP2C19CYP3A4KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1478617-A4 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL (CN) | 2006-04-19 | — | — | EP | disclosed |
| EP-1478617-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | China Petroleum & Chemical Corporation (CN) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003068723-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2003-08-21 | — | — | WO | disclosed |