Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19056769 | 0.83 | ALDH1A1 (0.46) | CA12CA9CYP2C9CYP2C19MEN1 | |
| SCHEMBL23119906 | 0.74 | CA12 (0.43) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20956682 | 0.74 | CA12 (0.43) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7386119 | 0.74 | ITGB1 (0.51) | CYP1A2CYP2C9CYP2C19KMT2AITGB1 | |
| SCHEMBL7680021 | 0.74 | ITGB1 (0.51) | CYP1A2CYP2C9CYP2C19KMT2AITGB1 | |
| SCHEMBL5430075 | 0.74 | HRH3 (0.48) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20956786 | 0.74 | HRH3 (0.48) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20956740 | 0.73 | CA12 (0.42) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20956739 | 0.73 | CA12 (0.42) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4298286 | 0.72 | CA12 (0.44) | CA12CA9CYP1A2CYP2C9CYP2C19 |
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-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |