Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 2/20 | 0.49 |
| ▸ | WNT3A | P56704 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936230 | 0.94 | CTNNB1 (0.49) | CTNNB1WNT3ATSHRL3MBTL1TDP1 | |
| SCHEMBL6757360 | 0.87 | HDAC3 (0.55) | CTNNB1WNT3AHDAC3HDAC1HDAC2 | |
| SCHEMBL13193216 | 0.86 | TSHR (0.50) | CTNNB1WNT3ATSHRL3MBTL1TDP1 | |
| SCHEMBL11765622 | 0.85 | HDAC3 (0.54) | CTNNB1WNT3AHDAC3HDAC1HDAC2 | |
| SCHEMBL28223126 | 0.84 | HDAC3 (0.53) | CTNNB1WNT3ATSHRHDAC3HDAC1 | |
| SCHEMBL10594894 | 0.84 | HDAC3 (0.53) | CTNNB1WNT3ATSHRHDAC3HDAC1 | |
| SCHEMBL14732971 | 0.82 | CTNNB1 (0.61) | CTNNB1WNT3ATDP1PTPN1ERCC5 | |
| SCHEMBL18936355 | 0.81 | NPC1 (0.48) | CTNNB1WNT3ATSHRL3MBTL1TDP1 | |
| SCHEMBL3121320 | 0.80 | ALDH1A1 (0.57) | CTNNB1WNT3ATSHRL3MBTL1TDP1 | |
| SCHEMBL15061010 | 0.80 | FFAR1 (0.51) | L3MBTL1CYP3A4MAPK1ALDH1A1LMNA |
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-2017095759-A1 | C5-C6-CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-06-08 | — | — | WO | disclosed |