Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063678 | 0.88 | MAPK8 (0.46) | MAPK8MAPTHTTRIPK1MEN1 | |
| SCHEMBL15778100 | 0.87 | IDO1 (0.46) | MAPK8RIPK1SMN1; SMN2ALDH1A1SIGMAR1 | |
| SCHEMBL5567382 | 0.86 | MAPT (0.42) | MAPK8MAPTHTTRIPK1MEN1 | |
| SCHEMBL15778913 | 0.83 | P2RX7 (0.42) | MAPTHTTKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6858298 | 0.82 | CES2 (0.48) | MAPK8MAPTRIPK1SMN1; SMN2SIGMAR1 | |
| SCHEMBL725284 | 0.81 | DPP4 (0.41) | MEN1KMT2ASMN1; SMN2ALDH1A1MMP2 | |
| SCHEMBL30167907 | 0.81 | DPP4 (0.41) | MEN1KMT2ASMN1; SMN2ALDH1A1MMP2 | |
| SCHEMBL30434988 | 0.80 | PDGFRB (0.46) | MAPTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21061557 | 0.80 | PDGFRB (0.46) | MAPTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13061970 | 0.80 | RIPK1 (0.49) | MAPK8MAPTRIPK1SMN1; SMN2SIGMAR1 |
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-2004087650-A2 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BETA-AMINO ACID AMIDE DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK & CO. INC. (US) | 2004-10-14 | — | — | WO | disclosed |