Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 5/20 | 0.33 |
| ▸ | CHUK | O15111 | 5/20 | 0.33 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23579933 | 0.70 | DPP4 (0.54) | DPP4AKT1GRM5DPP8KMT2A | |
| SCHEMBL9722543 | 0.68 | DPP4 (0.59) | DPP4AKT1GRM5DPP8NSD3 | |
| SCHEMBL3924776 | 0.68 | DPP4 (0.48) | DPP4AKT1GRM5DPP8MEN1 | |
| SCHEMBL12362542 | 0.66 | DPP4 (0.46) | DPP4AKT1GRM5LMNAMEN1 | |
| SCHEMBL23579863 | 0.65 | DPP4 (0.45) | DPP4LMNAMEN1KMT2A | |
| SCHEMBL3143405 | 0.65 | DPP4 (0.58) | DPP4AKT1GRM5LMNADPP8 | |
| SCHEMBL12352344 | 0.63 | LMNA (0.42) | GRM5LMNAMEN1KMT2A | |
| SCHEMBL3926351 | 0.63 | DPP4 (0.43) | DPP4AKT1GRM5DPP8MEN1 | |
| SCHEMBL7449573 | 0.62 | ALDH1A1 (0.41) | LMNAMEN1KMT2A | |
| SCHEMBL12970324 | 0.62 | ESR1 (0.37) | DPP4LMNAIKBKBCHUKMET |
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-2018102419-A1 | COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS | Epizyme, Inc. (US) | 2018-06-07 | — | — | WO | disclosed |