Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL4592212 | 0.82 | POLB (0.47) | PDK1TSHRCYP3A4FBP1TDP1 | |
| SCHEMBL7141434 | 0.82 | PDK1 (0.35) | PDK1TSHRCYP3A4FBP1TDP1 | |
| SCHEMBL7779774 | 0.82 | TDP1 (0.52) | TSHRFBP1TDP1ALDH1A1HSD17B10 | |
| SCHEMBL6036699 | 0.80 | ALDH1A1 (0.47) | TSHRCYP3A4TDP1MAPTALDH1A1 | |
| SCHEMBL9066713 | 0.80 | TSHR (0.38) | PDK1TSHRCYP3A4FBP1TDP1 | |
| SCHEMBL8082862 | 0.79 | GRIN2D (0.42) | PDK1TSHRCYP3A4FBP1TDP1 | |
| SCHEMBL8361517 | 0.78 | TDP1 (0.58) | TSHRFBP1TDP1MAPTALDH1A1 | |
| SCHEMBL166573 | 0.76 | GABRA1 (0.41) | MAPTALDH1A1POLBHTTGRIN2D | |
| SCHEMBL29619533 | 0.76 | GABRA1 (0.41) | MAPTALDH1A1POLBHTTGRIN2D | |
| SCHEMBL13236290 | 0.76 | TSHR (0.50) | TSHRCYP3A4FBP1TDP1MAPT |
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 |