Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL166529 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 | |
| SCHEMBL469732 | 0.81 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10TRPA1CYP2D6 | |
| Propane SCHEMBL6048777 | 0.80 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 | |
| SCHEMBL10883177 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 | |
| Butane SCHEMBL6048693 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 | |
| Isobutane SCHEMBL6048714 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 | |
| SCHEMBL28436056 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10TRPA1CYP2D6 | |
| SCHEMBL3218141 | 0.76 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10TRPA1CYP2C19 | |
| SCHEMBL13248782 | 0.76 | — | — | |
| SCHEMBL14888952 | 0.76 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10TRPA1ALOX15 |
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-105102417-A | Method for producing 4-halosenecioic acid derivative | SAGAMI CHEMICAL RES INST | 2015-11-25 | — | — | CN | disclosed |