Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28205347 | 0.89 | ALDH1A1 (0.49) | SLC6A3SLC6A4SLC6A2ALDH1A1GAA | |
| SCHEMBL29167634 | 0.78 | SLC6A3 (0.88) | SLC6A3SLC6A4SLC6A2LMNACHRM1 | |
| Iodide SCHEMBL3429365 | 0.76 | SLC6A4 (0.84) | SLC6A3SLC6A4SLC6A2LMNACHRM1 | |
| SCHEMBL5428376 | 0.75 | ALDH1A1 (0.51) | LMNAALDH1A1GAAKMT2ATSHR | |
| SCHEMBL30251446 | 0.74 | ALDH1A1 (0.47) | SLC6A3SLC6A4SLC6A2ALDH1A1GAA | |
| SCHEMBL27935564 | 0.74 | HTR2A (0.54) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| SCHEMBL8944151 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| SCHEMBL11243779 | 0.73 | ALDH1A1 (0.46) | SLC6A3SLC6A4SLC6A2ALDH1A1GAA | |
| SCHEMBL29173215 | 0.73 | SLC6A4 (1.00) | SLC6A3SLC6A4SLC6A2LMNATSHR | |
| SCHEMBL7816162 | 0.72 | CHRM1 (0.61) | SLC6A3SLC6A4SLC6A2LMNACHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2216327-A1 | Benzoic acid (1-phenyl-2-pyridin-4-yl)ethyl esters as phosphodiesterase inhibitors | CHIESI FARMACEUTICI S.p.A. (IT) | 2010-08-11 | — | — | EP | disclosed |