Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SNCA | P37840 | 1/20 | 0.30 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.30 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.30 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4495310 | 0.78 | CYP1A2 (0.44) | CYP1A2ALDH1A1TDP1HAO1CYP3A4 | |
| SCHEMBL29063474 | 0.72 | KRAS (0.34) | CYP1A2 | |
| SCHEMBL1242169 | 0.72 | CYP1A2 (0.36) | CYP1A2ALDH1A1TDP1POLBHAO1 | |
| SCHEMBL9153887 | 0.72 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL3249788 | 0.72 | CYP1A2 (0.41) | CYP1A2ALDH1A1TDP1POLBHAO1 | |
| SCHEMBL10695190 | 0.72 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL2491578 | 0.72 | CYP1A2 (0.37) | CYP1A2ALDH1A1TDP1HAO1CYP3A4 | |
| SCHEMBL4464355 | 0.70 | CYP1A2 (0.40) | CYP1A2ALDH1A1TDP1HAO1CYP3A4 | |
| SCHEMBL9959984 | 0.70 | CYP1A2 (0.43) | CYP1A2ALDH1A1HAO1CYP3A4APP | |
| SCHEMBL258350 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103402950-B | Method for oxidizing star phenol | BASF SE (DE) | 2016-11-30 | — | — | CN | disclosed |