Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553995 | 0.91 | MAPT (0.34) | CYP3A4ABCB11ADRA2BOPRD1SCN5A | |
| SCHEMBL8555110 | 0.90 | ESR1 (0.39) | CYP3A4ABCB11ADRA2BOPRD1SCN5A | |
| SCHEMBL9792019 | 0.88 | ALDH1A1 (0.42) | CYP3A4TSHRPOLBCYP2C9CYP2C19 | |
| SCHEMBL8557024 | 0.87 | ALK (0.32) | TSHRALDH1A1 | |
| SCHEMBL8554364 | 0.87 | CYP3A4 (0.36) | CYP3A4ABCB11ADRA2BOPRD1SCN5A | |
| SCHEMBL9791903 | 0.86 | ESR1 (0.44) | CYP3A4TSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8555860 | 0.85 | NPC1 (0.37) | TSHRPOLBALDH1A1 | |
| SCHEMBL8555125 | 0.85 | ADRB2 (0.34) | ALDH1A1 | |
| SCHEMBL9791974 | 0.84 | ALDH1A1 (0.46) | CYP3A4TSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9792114 | 0.84 | ESR1 (0.46) | CYP3A4TSHRALDH1A1 |
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-0507950-B1 | PROCESS FOR PRODUCING DIACETALS | NEW JAPAN CHEM CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0507950-A1 | PROCESS FOR PRODUCING DIACETAL | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 1992-10-14 | — | — | EP | disclosed |