Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 9/20 | 0.47 |
| ▸ | TP53 | P04637 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827794 | 0.92 | TP53 (0.49) | TSHRMEN1KMT2AUSP2CYP1A2 | |
| SCHEMBL4594280 | 0.92 | HRH3 (0.48) | MEN1KMT2AMAPTTP53SMN1; SMN2 | |
| SCHEMBL6830113 | 0.92 | HRH3 (0.48) | MEN1KMT2AMAPTTP53SMN1; SMN2 | |
| SCHEMBL6825229 | 0.87 | PPARA (0.43) | TSHRMEN1KMT2AMAPTTP53 | |
| SCHEMBL1436263 | 0.84 | DPP4 (0.55) | TSHRMEN1KMT2AUSP2CYP1A2 | |
| SCHEMBL666999 | 0.84 | DPP4 (0.55) | TSHRMEN1KMT2AUSP2CYP1A2 | |
| SCHEMBL6828516 | 0.84 | ALDH1A1 (0.49) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL662815 | 0.80 | DPP4 (0.59) | — | |
| SCHEMBL4593886 | 0.76 | DPP4 (0.46) | — | |
| SCHEMBL6827791 | 0.76 | DPP4 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917001-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007017423-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | WO | disclosed |