Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 5/20 | 0.44 |
| ▸ | EGFR | P00533 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | TYR | P14679 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Gentisic Acid SCHEMBL13732886 | 0.81 | CA12 (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4697922 | 0.77 | DPP4 (0.55) | — | |
| SCHEMBL13729895 | 0.76 | CA12 (0.46) | CA1CA2CA12CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL3134971 | 0.76 | DPP4 (0.42) | CYP3A4 | |
| Adipic Acid SCHEMBL13729711 | 0.75 | GABRP (0.44) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL13730064 | 0.75 | DPP4 (0.53) | — | |
| Phosphoric Acid SCHEMBL13730179 | 0.74 | DPP4 (0.46) | ALDH1A1TDP1CYP3A4 | |
| Phosphoric Acid SCHEMBL14128619 | 0.73 | DPP4 (0.45) | ALDH1A1TDP1CYP3A4 | |
| Gentisic Acid SCHEMBL28318579 | 0.70 | CA1 (0.91) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL29349919 | 0.70 | CA1 (1.00) | CA1CA2CA12CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681220-A2 | NOVEL SALTS OF DPP-IV INHIBITOR | Cadila Healthcare Limited (IN) | 2014-01-08 | — | — | EP | claimed |
| WO-2012147092-A2 | NOVEL SALTS OF DPP-IV INHIBITOR | CADILA HEALTHCARE LIMITED (IN) | 2012-11-01 | — | — | WO | claimed |
| EP-2681220-A2 | NOVEL SALTS OF DPP-IV INHIBITOR | Cadila Healthcare Limited (IN) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012147092-A2 | NOVEL SALTS OF DPP-IV INHIBITOR | CADILA HEALTHCARE LIMITED (IN) | 2012-11-01 | — | — | WO | disclosed |