Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL62482 | 0.92 | IDO1 (0.62) | CA2IDO1ESR1ESR2TSHR | |
| Hydroquinone SCHEMBL11578828 | 0.92 | IDO1 (0.62) | CA2IDO1ESR1ESR2TSHR | |
| SCHEMBL7939618 | 0.85 | CA2 (0.52) | CA2IDO1ESR1ESR2TSHR | |
| SCHEMBL2645635 | 0.84 | IDO1 (0.54) | CA2IDO1ESR1ESR2TSHR | |
| SCHEMBL1840533 | 0.82 | TSHR (0.75) | CA2IDO1ESR1ESR2TSHR | |
| SCHEMBL22853855 | 0.81 | IDO1 (0.56) | CA2IDO1ESR1ESR2TSHR | |
| Hydroquinone SCHEMBL10547720 | 0.80 | ALDH1A1 (0.67) | CA2ESR1ESR2TSHRABAT | |
| Ethylene Glycol SCHEMBL130292 | 0.79 | TSHR (0.79) | CA2IDO1TSHRKDM4EALDH1A1 | |
| SCHEMBL7940753 | 0.79 | IDO1 (0.54) | CA2IDO1ESR1ESR2TSHR | |
| Hydroquinone SCHEMBL51561 | 0.79 | TSHR (0.79) | CA2IDO1TSHRKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009072-A1 | PROCESS FOR THE PRODUCTION OF HYDROXY-SUBSTITUTED AROMATIC ALDEHYDES AND KETONES | PORT ELIZABETH TECHNIKON (ZA) | 2001-02-08 | — | — | WO | disclosed |