Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30619339 | 1.00 | TSHR (0.46) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL2635835 | 0.83 | TSHR (0.43) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL179312 | 0.82 | TSHR (0.50) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL16268022 | 0.80 | AR (0.42) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL28237203 | 0.80 | TSHR (0.41) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL6804271 | 0.80 | GABRA1 (0.40) | TSHRPDK1PDK2PDK3PDK4 | |
| Ethane SCHEMBL2153712 | 0.80 | TSHR (0.48) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL10471530 | 0.78 | TSHR (0.46) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL30539490 | 0.78 | TSHR (0.46) | TSHRPDK1PDK2PDK3PDK4 | |
| SCHEMBL29852135 | 0.78 | AR (0.47) | TSHRPDK1PDK2PDK3PDK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1489588-A | Thiazolyl-oxazolyl-pyrrolyl-and imidazolyl-acid amide derivatives useful as inbibitors of PDE 4 isozymes | �Ʒ� | 2004-04-14 | — | — | CN | disclosed |
| CN-1404480-A | Pyrimidine carboxamides as inhibitors of the PDE4 isozyme | PFIZER PROD INC (US) | 2003-03-19 | — | — | CN | disclosed |
| EP-0705245-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000480-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-05 | — | — | WO | disclosed |