Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555834 | 0.77 | CCR5 (0.42) | SLC6A4CYP2C19CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL2554451 | 0.73 | ENPP2 (0.43) | SLC6A4CYP2C19CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL19581966 | 0.68 | SLC6A4 (0.38) | SLC6A4CYP2C19CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL19602675 | 0.66 | SLC6A4 (0.43) | SLC6A4CYP2C19CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL14089187 | 0.65 | SLC6A4 (0.55) | SLC6A4SLC6A2SLC6A3PTGS2ALDH1A1 | |
| SCHEMBL3120205 | 0.65 | SMN1; SMN2 (0.47) | PTGS2ALDH1A1POLBGAAL3MBTL1 | |
| SCHEMBL15695509 | 0.63 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3PTGS2CA2 | |
| SCHEMBL29117512 | 0.62 | ENPP2 (0.54) | PTGS2 | |
| SCHEMBL10960104 | 0.60 | CYP2C19 (0.70) | SLC6A4CYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL5913718 | 0.60 | CA2 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |