Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | STK17B | O94768 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9697391 | 0.93 | SMPD1 (0.58) | ESR1SMPD1TSHRMAPTGAA | |
| SCHEMBL9697453 | 0.93 | SMPD1 (0.58) | ESR1SMPD1TSHRMAPTGAA | |
| SCHEMBL10151472 | 0.91 | ALDH1A1 (0.46) | ESR1SMPD1TSHRMAPTRAB9A | |
| SCHEMBL8765726 | 0.84 | TSHR (0.46) | SMPD1TSHRMAPTRAB9AATM | |
| SCHEMBL7952196 | 0.84 | TSHR (0.46) | SMPD1TSHRMAPTRAB9AATM | |
| SCHEMBL7544735 | 0.83 | ESR1 (0.57) | ESR1SMPD1TSHRESR2MAPT | |
| SCHEMBL14930188 | 0.83 | LTA4H (0.52) | ESR1SMPD1TSHRESR2MAPT | |
| SCHEMBL294390 | 0.82 | ALDH1A1 (0.58) | ESR1TSHRMAPTRAB9AATM | |
| SCHEMBL3034982 | 0.82 | L3MBTL1 (0.56) | TSHRMAPTRAB9AATML3MBTL1 | |
| SCHEMBL11701198 | 0.81 | KDM4E (0.51) | ESR1SMPD1TSHRESR2MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0847380-B1 | MIXTURE OF ESTERS AND USE THEREOF | BP CHEM INT LTD (GB) | 2001-08-16 | — | — | EP | claimed |
| WO-1997002229-A1 | REACTIVE DILUENTS | BP CHEMICALS LIMITED (GB) | 1997-01-23 | — | — | WO | claimed |
| WO-1997002230-A1 | REACTIVE DILUENTS | BP CHEMICALS LIMITED (GB) | 1997-01-23 | — | — | WO | claimed |
| CN-106748671-B | Method for synthesizing 2-alkoxy-4-methylphenol from 2-bromo-4-methylphenol | 浙江新和成股份有限公司 | 2019-12-24 | — | — | CN | disclosed |
| CN-106748671-A | A kind of method that the methylphenol of 2 alkoxy 4 is synthesized by the methylphenol of 2 bromine 4 | 浙江新和成股份有限公司 | 2017-05-31 | — | — | CN | disclosed |