Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 9/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | OXER1 | Q8TDS5 | 6/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL5232802 | 0.99 | DPP4 (0.58) | DPP4CYP3A4OXER1 | |
| SCHEMBL5239816 | 0.90 | DPP4 (0.50) | DPP4CYP3A4OXER1MAOAMAOB | |
| SCHEMBL5239251 | 0.89 | DPP4 (0.49) | DPP4CYP3A4OXER1MAOAMAOB | |
| Hydrochloric Acid SCHEMBL5238660 | 0.88 | DPP4 (0.61) | DPP4CYP3A4 | |
| SCHEMBL6695926 | 0.84 | DPP4 (0.45) | DPP4CYP3A4OXER1 | |
| SCHEMBL5238403 | 0.84 | DPP4 (0.45) | DPP4CYP3A4MAOAMAOBKMT2A | |
| Hydrochloric Acid SCHEMBL5237916 | 0.84 | DPP4 (0.55) | DPP4 | |
| Hydrochloric Acid SCHEMBL5234186 | 0.83 | DPP4 (0.54) | DPP4CYP3A4OXER1 | |
| SCHEMBL5238126 | 0.82 | CYP3A4 (0.44) | DPP4CYP3A4OXER1 | |
| SCHEMBL6107545 | 0.81 | DPP4 (0.42) | DPP4CYP3A4OXER1KMT2A |
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 |