Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Acetophenone. 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL11757006 | 0.93 | SMN1; SMN2 (0.60) | SMN1; SMN2MAPTCA12CA9NPC1 | |
| Acetophenone SCHEMBL10453049 | 0.88 | MAPT (0.56) | SMN1; SMN2MAPTCA12CA9NPC1 | |
| Acetophenone SCHEMBL27462873 | 0.87 | MAPT (0.71) | SMN1; SMN2MAPTCA12CA9NPC1 | |
| Acetophenone SCHEMBL16745259 | 0.87 | — | — | |
| Acetophenone SCHEMBL719033 | 0.87 | MAPT (0.71) | SMN1; SMN2MAPTCA12CA9NPC1 | |
| Acetophenone SCHEMBL30537005 | 0.87 | — | — | |
| Acetophenone SCHEMBL30537000 | 0.87 | — | — | |
| Acetophenone SCHEMBL1450855 | 0.87 | — | — | |
| Acetophenone SCHEMBL737 | 0.87 | — | — | |
| Acetophenone SCHEMBL2186216 | 0.86 | MAPT (0.58) | SMN1; SMN2MAPTCA12CA9NPC1 |
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-0701558-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO. INC. (US) | 1996-03-20 | — | — | EP | claimed |
| WO-1994029317-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | claimed |
| EP-0701558-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO. INC. (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5484923-A | REDUCING A BENZYLIC KETONE TO ALCOHOL BY REACTIONS WITH BORANE DIMETHYL SULFIDE AND BORANE OXAZABOROLIDINE; COMPLEXING, DECOMPOSING | MERCK & CO., INC. (US) | 1996-01-16 | — | — | US | disclosed |
| WO-1994029317-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |