Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.52 |
| ▸ | RELA | Q04206 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | ACR | P10323 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17301206 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL13483295 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL12173337 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL17301200 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL18328871 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL25138377 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL22138759 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL22138760 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL22138758 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT | |
| SCHEMBL9563163 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTHRBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-20150344782-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM | FUJIFILM CORPORATION (JP) | 2015-12-03 | — | — | US | disclosed |
| US-20150344782-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM | FUJIFILM CORPORATION (JP) | 2015-12-03 | — | — | US | disclosed |