Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL880849 | 1.00 | CYP1A2 (0.33) | CYP1A2NOS3NOS1NOS2DPP4 | |
| SCHEMBL880847 | 1.00 | CYP1A2 (0.33) | CYP1A2NOS3NOS1NOS2DPP4 | |
| SCHEMBL12931748 | 0.84 | KMT2A (0.31) | — | |
| SCHEMBL25681575 | 0.81 | CA1 (0.31) | CA1CA2CA4 | |
| SCHEMBL29434719 | 0.78 | CYP1A2 (0.35) | CYP1A2DPP4 | |
| SCHEMBL11490696 | 0.78 | CYP1A2 (0.35) | CYP1A2DPP4 | |
| SCHEMBL25689378 | 0.77 | — | — | |
| SCHEMBL12345489 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL13242721 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL10998048 | 0.73 | GAA (0.31) | CA1CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009037719-A1 | NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS | LUPIN LIMITED (IN) | 2009-03-26 | — | — | WO | disclosed |