Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 4/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1781531 | 0.68 | ADORA2A (0.34) | ADORA2AADORA2BADORA3ADORA1CHEK1 | |
| SCHEMBL24666166 | 0.67 | ATM (0.39) | CHEK1LMNACYP3A4 | |
| SCHEMBL24599000 | 0.66 | NPC1 (0.34) | — | |
| SCHEMBL20187573 | 0.65 | DPP4 (0.37) | METADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL762702 | 0.64 | — | — | |
| SCHEMBL24352879 | 0.64 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAHPGDTSHR | |
| SCHEMBL12297563 | 0.63 | — | — | |
| SCHEMBL3666602 | 0.63 | — | — | |
| SCHEMBL6617108 | 0.61 | — | — | |
| SCHEMBL4660453 | 0.61 | DPYD (0.39) | ALDH1A1LMNAMEN1GAAKMT2A |
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-2022147448-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | TERNS PHARMACEUTICALS, INC. (US) | 2022-07-07 | — | — | WO | disclosed |