Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.34 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL1521699 | 0.86 | RAPGEF4 (0.35) | RAPGEF4TRPA1MAPTKMT2ACYP1A2 | |
| SCHEMBL16790696 | 0.84 | TRPA1 (0.43) | RAPGEF4TRPA1MAPTKMT2ACYP1A2 | |
| SCHEMBL3091816 | 0.81 | RAPGEF4 (0.43) | RAPGEF4FUCA1MAPTKMT2ACYP3A4 | |
| SCHEMBL19121210 | 0.77 | TRPA1 (0.44) | TRPA1MAPTKMT2ACYP1A2MEN1 | |
| SCHEMBL27552342 | 0.77 | IDO1 (0.33) | TRPA1CYP1A2ALDH1A1MAPK1 | |
| SCHEMBL6231601 | 0.76 | TRPA1 (0.41) | RAPGEF4TRPA1CYP1A2MAPK1CHRNA7 | |
| SCHEMBL19314065 | 0.73 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL11935549 | 0.72 | ACHE (0.35) | — | |
| SCHEMBL1521870 | 0.72 | PKM (0.45) | MAPTKMT2AMEN1ALDH1A1NPC1 | |
| SCHEMBL9829162 | 0.72 | TOP2A (0.51) | MAPTKMT2ACYP1A2MEN1NPC1 |
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-2023114516-A2 | CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2023-06-22 | — | — | WO | disclosed |