Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL9870541 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2D6THRB | |
| SCHEMBL9870711 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL9873309 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL9870493 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL2148545 | 0.79 | — | — | |
| SCHEMBL9869684 | 0.77 | ACHE (0.40) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL9874541 | 0.77 | ACHE (0.40) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL9870668 | 0.77 | ACHE (0.40) | ALDH1A1TSHRCYP2D6THRBCA12 | |
| SCHEMBL11168778 | 0.77 | CA12 (0.43) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| Hydrogen Sulfide SCHEMBL3102036 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP2D6CA12CA1 |
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-5026492-A | Synergistic; improved wear resistance in internal combustion engines | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1991-06-25 | — | — | US | disclosed |