Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CD38 | P28907 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28019355 | 0.82 | CYP2A6 (0.41) | CYP2A6METAP2DYRK1ATBXAS1DYRK2 | |
| SCHEMBL27164862 | 0.79 | PIM1 (0.45) | DYRK1ATBXAS1DYRK2DYRK1BPIM1 | |
| SCHEMBL30482452 | 0.79 | PIM1 (0.45) | DYRK1ATBXAS1DYRK2DYRK1BPIM1 | |
| SCHEMBL24567811 | 0.78 | TBXAS1 (0.41) | CYP2A6DYRK1ATBXAS1DYRK2DYRK1B | |
| SCHEMBL28019354 | 0.76 | DYRK1A (0.40) | CYP2A6DYRK1ADYRK2DYRK1BPIM1 | |
| SCHEMBL5088040 | 0.73 | KDM4E (0.61) | DYRK1ATBXAS1DYRK2DYRK1BPIM1 | |
| SCHEMBL29924154 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2CNR2KDM4ETSHR | |
| SCHEMBL196235 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2CNR2KDM4ETSHR | |
| SCHEMBL31252534 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2CNR2KDM4ETSHR | |
| SCHEMBL28416665 | 0.73 | PIM1 (0.41) | CYP2A6DYRK1ADYRK2DYRK1BPIM1 |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |