Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729192 | 0.85 | CHEK2 (0.40) | CHEK2PTGDR2KMT2AALDH1A1MEN1 | |
| SCHEMBL2728338 | 0.84 | CHEK2 (0.37) | BTKADORA2ACHEK2KDM4EALDH1A1 | |
| SCHEMBL2726309 | 0.74 | CYP3A4 (0.42) | CHEK2KMT2AALDH1A1MEN1PPARG | |
| SCHEMBL8815555 | 0.74 | NPSR1 (0.47) | NPSR1RXFP1BTKIKBKBGRM5 | |
| Urea SCHEMBL21777343 | 0.74 | KDM4E (0.47) | ADORA2AKMT2AKDM4EALDH1A1HDAC2 | |
| Carbamic Acid SCHEMBL10365602 | 0.72 | PDPK1 (0.50) | ADORA2AKMT2AKDM4EALDH1A1HDAC2 | |
| SCHEMBL30810193 | 0.72 | HPGD (0.42) | ADORA2ACHEK2KMT2AALDH1A1MEN1 | |
| SCHEMBL3350408 | 0.71 | SMPD3 (0.46) | CHEK2PTGDR2KMT2AALDH1A1HDAC2 | |
| SCHEMBL30810276 | 0.71 | PARP1 (0.45) | ADORA2ACHEK2KMT2AKDM4EALDH1A1 | |
| SCHEMBL2733045 | 0.71 | TYK2 (0.43) | BTKADORA2ACHEK2PTGDR2KMT2A |
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-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |