Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL6597535 | 0.98 | DGAT1 (0.42) | GAADGAT1EPHX1HPGDHDAC4 | |
| SCHEMBL27566889 | 0.90 | DGAT1 (0.40) | GAADGAT1EPHX1HPGDBTK | |
| Hydrochloric Acid SCHEMBL6600019 | 0.88 | DGAT1 (0.39) | GAADGAT1EPHX1HPGDBTK | |
| SCHEMBL26698295 | 0.86 | EPHX1 (0.40) | GAADGAT1EPHX1HPGDHDAC4 | |
| SCHEMBL7352585 | 0.84 | EPHX1 (0.43) | GAAEPHX1SSTR4PDK1PDK2 | |
| SCHEMBL7352590 | 0.84 | EPHX1 (0.43) | GAAEPHX1SSTR4PDK1PDK2 | |
| SCHEMBL28770712 | 0.84 | EPHX1 (0.43) | GAAEPHX1SSTR4PDK1PDK2 | |
| SCHEMBL26698284 | 0.84 | EPHX1 (0.38) | GAADGAT1EPHX1HPGDBTK | |
| Hydrochloric Acid SCHEMBL5194471 | 0.82 | EPHX1 (0.42) | GAAEPHX1SSTR4PDK1PDK2 | |
| Hydrochloric Acid SCHEMBL27712371 | 0.82 | EPHX1 (0.42) | GAAEPHX1SSTR4PDK1PDK2 |
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-102746175-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | TAKAEDA CHEMICAL IND LTD | 2014-01-15 | — | — | CN | disclosed |