Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14101144 | 0.77 | — | — | |
| SCHEMBL24724546 | 0.77 | — | — | |
| SCHEMBL27418719 | 0.69 | — | — | |
| Trifluoroacetic Acid SCHEMBL5371572 | 0.68 | ALDH1A1 (0.43) | ALDH1A1TSHRACLY | |
| Bicarbonate SCHEMBL1469511 | 0.67 | CA1 (0.36) | ALDH1A1 | |
| SCHEMBL29134071 | 0.63 | — | — | |
| Trifluoroacetic Acid SCHEMBL29163092 | 0.63 | THRB (0.38) | THRBALDH1A1TSHR | |
| SCHEMBL7915914 | 0.62 | — | — | |
| SCHEMBL648870 | 0.61 | — | — | |
| SCHEMBL31730573 | 0.61 | THRB (0.41) | THRBTET2ALDH1A1TSHRACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022256676-A1 | SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-12-08 | — | — | WO | disclosed |
| WO-2022256702-A1 | SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-12-08 | — | — | WO | disclosed |