Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28181339 | 0.66 | CA1 (0.30) | — | |
| SCHEMBL27481364 | 0.66 | — | — | |
| SCHEMBL17573814 | 0.66 | CA1 (0.30) | — | |
| SCHEMBL11790014 | 0.61 | — | — | |
| SCHEMBL819145 | 0.51 | TSHR (0.59) | MEN1TSHRKMT2AALDH1A1CYP2A6 | |
| SCHEMBL31050110 | 0.49 | CYP1A2 (0.46) | MEN1TSHRKMT2AALDH1A1CYP2A6 | |
| SCHEMBL119203 | 0.49 | TSHR (0.50) | MEN1TSHRKMT2AALDH1A1CYP2A6 | |
| Acetonitrile SCHEMBL25293727 | 0.48 | ALDH1A1 (0.50) | TSHRKMT2AALDH1A1CYP2A6 | |
| SCHEMBL16189170 | 0.48 | — | — | |
| SCHEMBL4632645 | 0.48 | ALDH1A1 (0.44) | MEN1TSHRKMT2AALDH1A1CYP2A6 |
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-2021239568-A1 | PREPARATION OF SUBSTITUTED 4-(N'-HYDROXYCARBAMIMIDOYL)BENZOIC ACIDS | BASF SE (DE) | 2021-12-02 | — | — | WO | disclosed |