Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20534655 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL4450827 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19KDM4ETSHR | |
| SCHEMBL4055323 | 0.77 | TSHR (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL41938 | 0.77 | CYP2C19 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL12852568 | 0.76 | KCNA5 (0.51) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL10717848 | 0.75 | KCNA5 (0.46) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL2323123 | 0.75 | KCNA5 (0.47) | ALDH1A1CYP1A2CYP3A4TSHRLMNA | |
| SCHEMBL9322413 | 0.74 | KDM4E (0.51) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL635767 | 0.74 | CYP2C19 (0.39) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E | |
| SCHEMBL3717619 | 0.74 | LMNA (0.40) | ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113423702-A | N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use in the treatment of disease | 诺华股份有限公司 | 2021-09-21 | — | — | CN | disclosed |