Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | F7 | P08709 | 3/20 | 0.33 |
| ▸ | F3 | P13726 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7278077 | 0.87 | — | — | |
| SCHEMBL26091215 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| SCHEMBL3492594 | 0.81 | KMT2A (0.36) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL2321095 | 0.78 | — | — | |
| SCHEMBL10753300 | 0.75 | KMT2A (0.33) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| SCHEMBL10753305 | 0.75 | KMT2A (0.33) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| SCHEMBL28877729 | 0.72 | TRPA1 (0.38) | OXER1PPARA | |
| SCHEMBL5159201 | 0.72 | — | — | |
| SCHEMBL3829351 | 0.72 | — | — | |
| SCHEMBL365730 | 0.72 | — | — |
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-0112394-A1 | PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER | TORAY INDUSTRIES, INC. (JP) | 1984-07-04 | — | — | EP | disclosed |