Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Phenylpropanol. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylpropanol SCHEMBL28187915 | 0.96 | LMNA (0.70) | LMNAKDM4EL3MBTL1ALDH1A1POLB | |
| Phenylpropanol SCHEMBL539164 | 0.87 | LMNA (1.00) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL27878996 | 0.87 | LMNA (1.00) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL698860 | 0.87 | LMNA (1.00) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL27691663 | 0.87 | LMNA (1.00) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL56673 | 0.87 | LMNA (1.00) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL27734478 | 0.85 | LMNA (0.86) | LMNAKDM4EL3MBTL1POLBKMT2A | |
| Phenylpropanol SCHEMBL1534202 | 0.85 | LMNA (0.86) | LMNAKDM4EL3MBTL1ALDH1A1KMT2A | |
| Phenylpropanol SCHEMBL19667852 | 0.85 | LMNA (0.95) | LMNAKDM4EL3MBTL1ALDH1A1AOC3 | |
| Phenylpropanol SCHEMBL9994261 | 0.85 | LMNA (0.95) | LMNAKDM4EL3MBTL1ALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107473993-A | The preparation method of high-purity m-trifluoromethyl phenylpropanol methanesulfonates | 山东新华制药股份有限公司 | 2017-12-15 | — | — | CN | claimed |
| CN-105461569-B | A kind of alverine citrate novel crystal forms and preparation method thereof | 南京海融医药科技股份有限公司 | 2017-06-06 | — | — | CN | claimed |
| 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 |