Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 5/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687814 | 0.88 | EPHX1 (0.40) | TSHRKMT2ACCR2EPHX1CYP2D6 | |
| SCHEMBL6693491 | 0.86 | NPC1 (0.42) | KMT2AL3MBTL1 | |
| SCHEMBL6688042 | 0.85 | HTR7 (0.39) | KMT2AOPRK1 | |
| SCHEMBL6685681 | 0.85 | EPHX2 (0.48) | TSHRKMT2AL3MBTL1EPHX1CYP2D6 | |
| SCHEMBL6688679 | 0.83 | NPC1 (0.39) | KMT2AL3MBTL1EPHX1 | |
| SCHEMBL6686695 | 0.82 | MEN1 (0.40) | KMT2ACCR3CTSLCTSK | |
| SCHEMBL6686627 | 0.82 | NPC1 (0.38) | KMT2ASYK | |
| SCHEMBL6689992 | 0.81 | CFD (0.41) | EPHX1 | |
| SCHEMBL6687208 | 0.79 | TRPA1 (0.35) | KMT2AL3MBTL1EPHX1CYP2D6 | |
| SCHEMBL6693494 | 0.79 | SLC6A9 (0.37) | EPHX1 |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |