Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | NRAS | P01111 | 1/20 | 0.39 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.39 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3848593 | 0.99 | KDM4E (0.41) | KDM4EHSD17B10RXFP1ROCK2ROCK1 | |
| SCHEMBL4712318 | 0.92 | KDM4E (0.41) | KDM4EHSD17B10RXFP1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL3849122 | 0.91 | KDM4E (0.40) | KDM4EHSD17B10RXFP1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL3846953 | 0.86 | KIT (0.39) | KDM4EROCK2ROCK1KITFLT3 | |
| Hydrochloric Acid SCHEMBL3850563 | 0.86 | FLT3 (0.41) | ROCK2ROCK1KITFLT3NRAS | |
| SCHEMBL3848474 | 0.86 | KDM4E (0.52) | KDM4EHSD17B10RXFP1PIK3CAMTOR | |
| Hydrochloric Acid SCHEMBL3852537 | 0.85 | FLT3 (0.43) | ROCK2ROCK1FLT3NRASPTK6 | |
| SCHEMBL3322932 | 0.85 | KDM4E (0.46) | KDM4EROCK2ROCK1KITFLT3 | |
| Hydrochloric Acid SCHEMBL3846069 | 0.84 | KDM4E (0.46) | KDM4EROCK2ROCK1KITFLT3 | |
| Hydrochloric Acid SCHEMBL3845647 | 0.81 | LRRK2 (0.45) | KDM4EROCK2ROCK1FLT3NRAS |
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-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | claimed |