Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TGM2 | P21980 | 2/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL27819406 | 0.82 | ALDH1A1 (0.48) | AKT1TPMTALDH1A1ALOX15MAPK1 | |
| Naphthalene SCHEMBL3296369 | 0.81 | LMNA (0.59) | AKT1LMNATGM2THRBALDH1A1 | |
| Naphthalene SCHEMBL30721503 | 0.81 | LMNA (0.59) | AKT1LMNATGM2THRBALDH1A1 | |
| Naphthalene SCHEMBL30742789 | 0.81 | LMNA (0.59) | AKT1LMNATGM2THRBALDH1A1 | |
| O-Xylene SCHEMBL29827150 | 0.80 | TSHR (0.50) | AKT1LMNATGM2ALDH1A1ALOX15 | |
| O-Xylene SCHEMBL9305661 | 0.80 | TSHR (0.50) | AKT1LMNATGM2ALDH1A1ALOX15 | |
| O-Xylene SCHEMBL29189105 | 0.80 | TSHR (0.50) | AKT1LMNATGM2ALDH1A1ALOX15 | |
| Acrylic Acid SCHEMBL30910408 | 0.79 | LMNA (0.56) | AKT1LMNATGM2THRBALDH1A1 | |
| Biphenyl SCHEMBL1311763 | 0.79 | LMNA (0.56) | AKT1LMNATGM2ALDH1A1ALOX15 | |
| Triphenylene SCHEMBL29117898 | 0.79 | LMNA (0.56) | AKT1LMNATGM2THRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109970542-B | Application of quebrachitol in copper-catalyzed aryl halide hydrolysis reaction | 沈阳药科大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-109970542-A | Application of quebrachitol in copper-catalyzed aryl halide hydrolysis reaction | 沈阳药科大学 | 2019-07-05 | — | — | CN | disclosed |