Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KIT | P10721 | 4/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3849381 | 0.99 | KDM4E (0.38) | KDM4EALDH1A1HPGDCASP1CASP7 | |
| Hydrochloric Acid SCHEMBL3857470 | 0.91 | HRH3 (0.41) | CLK1DYRK1AHRH3KITPIK3CA | |
| Hydrochloric Acid SCHEMBL3853564 | 0.90 | KIT (0.38) | KITPIK3CA | |
| Hydrochloric Acid SCHEMBL3846822 | 0.90 | MAPK14 (0.42) | KITPIK3CAMEN1KMT2ACNR2 | |
| Hydrochloric Acid SCHEMBL3847501 | 0.89 | HRH3 (0.34) | KDM4EALDH1A1HPGDCASP1CASP7 | |
| Hydrochloric Acid SCHEMBL3849226 | 0.88 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDCASP1CASP7 | |
| Hydrochloric Acid SCHEMBL3845502 | 0.88 | CNR2 (0.38) | MAPTKITPIK3CAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3846443 | 0.86 | CNR2 (0.41) | GABRA1GABRA3KITPIK3CACNR2 | |
| SCHEMBL3855309 | 0.84 | TGFBR1 (0.38) | ALDH1A1KITPIK3CA | |
| SCHEMBL3846083 | 0.83 | TGFBR1 (0.38) | ALDH1A1GABRA1GABRA3KITPIK3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| 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 | disclosed |