Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL27371070 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10ALDH1A1TSHR | |
| SCHEMBL28016715 | 0.81 | ALOX15 (0.43) | ALOX15HSD17B10HCAR2KEAP1NFE2L2 | |
| SCHEMBL1428431 | 0.81 | ALDH1A1 (0.48) | HSD17B10ALDH1A1TSHRHCAR2KEAP1 | |
| SCHEMBL8610770 | 0.81 | ALDH1A1 (0.48) | HSD17B10ALDH1A1TSHRHCAR2KEAP1 | |
| Itaconate SCHEMBL28200318 | 0.81 | ALOX15 (0.46) | ALOX15HSD17B10ALDH1A1TSHRTHRB | |
| Itaconate SCHEMBL20487589 | 0.80 | ALOX15 (0.59) | ALOX15HSD17B10ALDH1A1TSHRHCAR2 | |
| Dimethyl Maleate SCHEMBL28166828 | 0.80 | ALOX15 (0.57) | ALOX15HSD17B10ALDH1A1TSHRHCAR2 | |
| Itaconate SCHEMBL15419775 | 0.80 | ALDH1A1 (0.62) | ALOX15HSD17B10ALDH1A1TSHRTHRB | |
| Itaconate SCHEMBL29289404 | 0.79 | ALDH1A1 (0.47) | ALOX15HSD17B10ALDH1A1TSHRTHRB | |
| Itaconate SCHEMBL8660291 | 0.79 | ALOX15 (0.49) | ALOX15HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829577-A | Metal surface treating agent | 日本帕卡濑精株式会社 | 2016-08-03 | — | — | CN | disclosed |