Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310683 | 0.82 | DHFR (0.31) | DHFR | |
| SCHEMBL24309696 | 0.81 | HSP90AA1 (0.35) | DHFRTRPA1 | |
| SCHEMBL24331090 | 0.79 | USP1 (0.38) | TRPA1 | |
| SCHEMBL24309791 | 0.78 | AXL (0.33) | — | |
| SCHEMBL29567037 | 0.78 | POLB (0.42) | — | |
| SCHEMBL24310681 | 0.78 | POLB (0.42) | — | |
| SCHEMBL24309377 | 0.74 | ADRA2A (0.30) | — | |
| SCHEMBL24309629 | 0.71 | P2RX3 (0.33) | DHFRTRPA1 | |
| SCHEMBL24310447 | 0.70 | USP1 (0.33) | — | |
| SCHEMBL24309257 | 0.69 | USP1 (0.33) | DHFR |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |