Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 16/20 | 0.76 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 SCHEMBL5234309 | 0.99 | DPP4 (0.74) | DPP4GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7004422 | 0.87 | DPP4 (0.77) | DPP4TACR1KCNA5KCNH2 | |
| SCHEMBL5232770 | 0.87 | DPP4 (1.00) | DPP4TACR1KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL5235851 | 0.86 | DPP4 (0.76) | DPP4TACR1KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL5239422 | 0.86 | DPP4 (0.76) | DPP4TACR1KCNA5KCNH2 | |
| SCHEMBL7555668 | 0.84 | DPP4 (0.73) | DPP4KCNA5KCNH2 | |
| SCHEMBL5237066 | 0.84 | DPP4 (0.56) | DPP4GABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL5238032 | 0.83 | DPP4 (0.71) | DPP4KCNA5KCNH2 | |
| SCHEMBL5237491 | 0.83 | DPP4 (0.55) | DPP4GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7006457 | 0.82 | DPP4 (0.70) | DPP4GABRPGABRDGABRA1GABRB1 |
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 |