Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27435131 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL20562915 | 0.80 | ALDH1A1 (0.40) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL3199094 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL9799216 | 0.78 | ALDH1A1 (0.54) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL13075591 | 0.77 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL12333770 | 0.77 | ALDH1A1 (0.49) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL20563605 | 0.77 | MAPT (0.38) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL25430128 | 0.75 | EGFR (0.48) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL20564240 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E | |
| SCHEMBL3585740 | 0.75 | GAA (0.46) | ALDH1A1GAAHSD17B10MAPTKDM4E |
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-2019075265-A1 | PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS | Revolution Medicines, Inc. (US) | 2019-04-18 | — | — | WO | disclosed |