Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL35254 | 0.92 | THRB (0.62) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| Acrylic Acid SCHEMBL30342235 | 0.89 | THRB (0.59) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| Acrylic Acid Methyl Ester SCHEMBL27845881 | 0.85 | THRB (0.55) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| Methacrylic Acid SCHEMBL28787783 | 0.84 | THRB (0.54) | THRBMEN1KMT2ACYP2D6ADRB2 | |
| SCHEMBL818977 | 0.84 | THRB (0.52) | THRBMEN1KMT2ACYP1A2LMNA | |
| SCHEMBL2128155 | 0.83 | CYP1A2 (0.50) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL14173310 | 0.83 | CYP1A2 (0.50) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL8492483 | 0.82 | THRB (0.51) | THRBMEN1KMT2ACYP2D6ADRB2 | |
| SCHEMBL29437189 | 0.82 | THRB (0.51) | THRBMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL11650141 | 0.82 | THRB (0.49) | THRBMEN1KMT2ACYP1A2L3MBTL1 |
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-1928979-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | Rolic AG (CH) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007033506-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | ROLIC AG (CH) | 2007-03-29 | — | — | WO | disclosed |