Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL474900 | 1.00 | CYP1A2 (0.42) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL11333116 | 0.97 | CYP1A2 (0.39) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL1696865 | 0.86 | — | — | |
| SCHEMBL14923265 | 0.84 | CYP1A2 (0.42) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| Hydrochloric Acid SCHEMBL1696886 | 0.83 | — | — | |
| SCHEMBL1524628 | 0.80 | CYP1A2 (0.48) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL11695758 | 0.80 | GRM2 (0.41) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL2421111 | 0.80 | GRM2 (0.41) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL758814 | 0.78 | CYP1A2 (0.43) | CYP1A2SIGMAR1GRM2GRM3HPGD | |
| SCHEMBL13174686 | 0.78 | GNAO1 (0.33) | AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010103429-A1 | 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists | PFIZER INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| WO-2010103429-A1 | 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists | PFIZER INC. (US) | 2010-09-16 | — | — | WO | disclosed |