Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Hydrocinnamyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6041259 | 0.94 | KMT2A (0.59) | POLBMEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL6041291 | 0.92 | MEN1 (0.57) | POLBMEN1KMT2AL3MBTL1MAPT | |
| Hydrocinnamyl Alcohol SCHEMBL27719288 | 0.90 | TDP1 (0.54) | POLBMEN1KMT2ATDP1ALDH1A1 | |
| Hydrocinnamyl Alcohol SCHEMBL9451372 | 0.88 | CA2 (0.61) | MEN1KMT2ATDP1ALDH1A1KDM4E | |
| Phenylethyl Alcohol SCHEMBL27373999 | 0.88 | TDP1 (0.70) | POLBMEN1KMT2ATDP1L3MBTL1 | |
| Hydrocinnamyl Alcohol SCHEMBL28209752 | 0.85 | TDP1 (0.58) | MEN1KMT2ATDP1L3MBTL1LTA4H | |
| Hydrocinnamyl Alcohol SCHEMBL1868196 | 0.85 | TDP1 (0.70) | TDP1MAPTLTA4HEPHX2SIGMAR1 | |
| Hydrocinnamyl Alcohol SCHEMBL1922 | 0.85 | TDP1 (0.70) | TDP1MAPTLTA4HEPHX2SIGMAR1 | |
| Hydrocinnamyl Alcohol SCHEMBL27451293 | 0.85 | TDP1 (0.70) | TDP1MAPTLTA4HEPHX2SIGMAR1 | |
| Hydrocinnamyl Alcohol SCHEMBL27804855 | 0.85 | TDP1 (0.70) | TDP1MAPTLTA4HEPHX2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104003913-B | The preparation method of E-3,4-dihydroxyphenyl vinylic sulfonamides and sulfonates compounds and the application as neuroprotective thereof | PEKING UNIVERSITY (CN) | 2015-10-07 | — | — | CN | disclosed |