Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL30467541 | 0.81 | SLC6A4 (0.38) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL2283629 | 0.78 | KMT2A (0.47) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL30872024 | 0.78 | KMT2A (0.42) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL29743218 | 0.77 | SLC6A4 (0.47) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL30952648 | 0.77 | KMT2A (0.50) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL1967791 | 0.77 | SLC6A4 (0.47) | SLC6A4KMT2ASLC6A2 | |
| SCHEMBL30850132 | 0.77 | SLC6A2 (0.45) | PPARGPPARASLC6A4KMT2ASLC6A2 | |
| SCHEMBL11412911 | 0.71 | KMT2A (0.49) | SLC6A4KMT2ASLC6A2MEN1HTT | |
| SCHEMBL1805351 | 0.70 | TDP1 (0.57) | MAPK1PPARGPPARATDP1PKM | |
| SCHEMBL12499667 | 0.70 | KMT2A (0.43) | MAPK1SLC6A4KMT2ASLC6A2MEN1 |
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-2680851-A2 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012118945-A2 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-09-07 | — | — | WO | disclosed |