Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CPT2 | P23786 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6991990 | 0.79 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL10033928 | 0.79 | ALDH1A1 (0.44) | HMGCRCHRM1TBXA2RADRA1ATDP1 | |
| SCHEMBL6995470 | 0.77 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL27824795 | 0.77 | KDM4E (0.30) | KDM4E | |
| SCHEMBL8466940 | 0.77 | TET2 (0.52) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL6429532 | 0.75 | CYP2C19 (0.48) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL17179910 | 0.73 | CYP2C19 (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL28621742 | 0.72 | KDM4E (0.50) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL17480197 | 0.71 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL13636130 | 0.71 | CA5A (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0776373-B1 | PROCESS FOR DEMETHYLATING S-METHYL-MERCAPTO COMPOUNDS | QUEST INT (NL) | 1998-11-18 | — | — | EP | claimed |
| CN-108329446-A | Phenolic resin is esterified sulfonate and its synthetic method, printing hydrophilic version and application and galley | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | disclosed |