Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5235219 | 0.99 | CYP3A4 (0.43) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| SCHEMBL5237058 | 0.87 | CYP3A4 (0.40) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| Hydrochloric Acid SCHEMBL5234098 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6AAK1DPP4 | |
| SCHEMBL6110312 | 0.84 | CYP3A4 (0.38) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| SCHEMBL5237063 | 0.83 | CYP3A4 (0.40) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| SCHEMBL6110309 | 0.79 | CYP3A4 (0.37) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| Hydrochloric Acid SCHEMBL5234489 | 0.78 | NPC1 (0.46) | DPP4 | |
| SCHEMBL27599111 | 0.78 | CYP3A4 (0.46) | CYP3A4CYP2D6MTORWNT1GSK3B | |
| Hydrochloric Acid SCHEMBL5231925 | 0.75 | DPP4 (0.51) | DPP4 | |
| SCHEMBL5236547 | 0.74 | CYP3A4 (0.41) | CYP3A4CYP2D6AAK1PIK3CADPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A9 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |