Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12189520 | 0.90 | TDP1 (0.41) | TSHRTDP1HPGDHCAR2CYP3A4 | |
| SCHEMBL167949 | 0.85 | CYP3A4 (0.43) | TSHRTDP1CYP3A4CA1CA2 | |
| SCHEMBL6414229 | 0.83 | HCAR2 (0.43) | TSHRTDP1HPGDHCAR2ALDH1A1 | |
| SCHEMBL2866836 | 0.83 | HCAR2 (0.43) | TSHRTDP1HPGDHCAR2ALDH1A1 | |
| SCHEMBL8636453 | 0.83 | HCAR2 (0.43) | TSHRTDP1HPGDHCAR2ALDH1A1 | |
| SCHEMBL14672059 | 0.83 | HCAR2 (0.43) | TSHRTDP1HPGDHCAR2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28223082 | 0.81 | CYP3A4 (0.41) | TSHRTDP1CYP3A4CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL21219091 | 0.81 | HCAR2 (0.41) | TSHRTDP1HCAR2ALDH1A1HTT | |
| SCHEMBL996494 | 0.79 | TSHR (0.51) | TSHRTDP1HPGDHCAR2ATM | |
| SCHEMBL167950 | 0.78 | TSHR (0.43) | TSHRTDP1CYP3A4CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3086396-A1 | NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME | UBE Industries, Ltd. (JP) | 2016-10-26 | — | — | EP | disclosed |