Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | KIT | P10721 | 4/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | NRAS | P01111 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 SCHEMBL3845315 | 0.99 | TGFBR1 (0.37) | TGFBR1KITCNR2FLT3NRAS | |
| Hydrochloric Acid SCHEMBL3846443 | 0.90 | CNR2 (0.41) | TGFBR1KITCNR2GABRA1GABRA3 | |
| SCHEMBL3855309 | 0.88 | TGFBR1 (0.38) | TGFBR1KITPIK3CAALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3854861 | 0.88 | TGFBR1 (0.37) | TGFBR1KITPIK3CAALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3846121 | 0.88 | TGFBR1 (0.37) | TGFBR1KITPIK3CAALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3846822 | 0.85 | MAPK14 (0.42) | KITCNR2PIK3CA | |
| SCHEMBL3847238 | 0.85 | TGFBR1 (0.40) | TGFBR1PIK3CATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3851941 | 0.84 | TGFBR1 (0.38) | TGFBR1FLT3NRASPIK3CA | |
| Hydrochloric Acid SCHEMBL3845502 | 0.84 | CNR2 (0.38) | KITCNR2FLT3NRASPIK3CA | |
| Hydrochloric Acid SCHEMBL3853564 | 0.84 | KIT (0.38) | TGFBR1KITPIK3CA |
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 |