Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL828170 | 0.85 | ALDH1A1 (0.48) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL9507667 | 0.78 | ALDH1A1 (0.53) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL69510 | 0.77 | MAPK1 (0.56) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| Toluene SCHEMBL21519846 | 0.77 | ALDH1A1 (0.67) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL2383383 | 0.76 | ALDH1A1 (0.55) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL7116609 | 0.76 | THRB (0.53) | THRBALDH1A1PIN1NPC1TSHR | |
| SCHEMBL1261037 | 0.76 | THRB (0.46) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL26188742 | 0.76 | ALDH1A1 (0.39) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL262028 | 0.75 | ALDH1A1 (0.59) | THRBMAPK1ALDH1A1CYP3A4HIF1A | |
| SCHEMBL23630671 | 0.75 | ALDH1A1 (0.39) | THRBMAPK1ALDH1A1CYP3A4HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4151056-A | NONTOXIC DILUENTS, POLYURETHANE CROSSLINKERS | UNION CARBIDE CORPORATION (US) | 1979-04-24 | — | — | US | disclosed |