Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6049968 | 0.78 | TSHR (0.44) | TSHRCYP1A2CYP2D6CYP2C19HIF1A | |
| SCHEMBL9402267 | 0.77 | TSHR (0.48) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL30879491 | 0.77 | TSHR (0.42) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL659708 | 0.76 | TSHR (0.52) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL4331801 | 0.75 | TSHR (0.46) | TSHRCYP1A2CYP2D6MAPK1ALDH1A1 | |
| SCHEMBL9746482 | 0.75 | TSHR (0.46) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL9746499 | 0.75 | TSHR (0.46) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL11044685 | 0.72 | CYP2D6 (0.46) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL22402881 | 0.72 | CYP2D6 (0.46) | TSHRCYP1A2CYP2D6KCNN4MAPK1 | |
| SCHEMBL3079554 | 0.72 | CYP2D6 (0.46) | TSHRCYP1A2CYP2D6KCNN4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |