Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 7/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL723874 | 0.93 | ALDH1A1 (0.66) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| 1-Pentanol SCHEMBL9632152 | 0.89 | ALDH1A1 (0.66) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| Ethylene Glycol SCHEMBL15348650 | 0.88 | ALDH1A1 (0.83) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL9157937 | 0.86 | TSHR (0.79) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| 2-Ethoxyethanol SCHEMBL17451413 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| Butoxyethanol SCHEMBL28032884 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| Butoxyethanol SCHEMBL1497994 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| SCHEMBL25319556 | 0.85 | TSHR (0.76) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| SCHEMBL723875 | 0.85 | TSHR (0.76) | ALDH1A1TSHRTHRBLMNAHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL21930789 | 0.85 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNAHSD17B10ACHE |
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-6437090-B1 | ORGANOMETALLIC COMPOUND CAPABLE OF REVERSIBLY DISSOLVING AND PRECIPITATING THROUGH HEATING AND COOLING; ORGANOSILICON COMPOUND; ONE LIGAND CONTAINS AN ALKYL GROUP HAVING 10 OR MORE CARBON ATOMS; EPOXY RESIN; STORAGE STABLE; ONLY CURES ON HEAT | KABUSHIKI KAISHA TOSHIBA (JP) | 2002-08-20 | — | — | US | disclosed |